SCHEMBL1287891

SCHEMBL1287891

CC(C)(C)Cc1cc(NC(=O)Nc2ccc(Cc3ccncc3)cc2)[nH]n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.57
CDK8 P49336 1/20 0.57
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
RAB9A P51151 2/20 0.54
POLB P06746 1/20 0.54
RAF1 P04049 1/20 0.53
MAPT P10636 5/20 0.52
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 2/20 0.52
HTT P42858 1/20 0.52
MAPK14 Q16539 3/20 0.52
ERBB2 P04626 1/20 0.52
MAPK11 Q15759 1/20 0.52
TSHR P16473 1/20 0.49
CYP17A1 P05093 1/20 0.46
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
ALDH1A1 P00352 2/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6049557 0.90 MAPK14 (0.53) CCNCCDK8MEN1KMT2ARAB9A
SCHEMBL6052683 0.86 RAF1 (0.56) MEN1KMT2ARAF1MAPTSMN1; SMN2
SCHEMBL667209 0.84 MAPK14 (0.62) CCNCCDK8MEN1KMT2ARAB9A
SCHEMBL24975884 0.73 CCNC (1.00) CCNCCDK8MEN1KMT2ARAB9A
SCHEMBL3187436 0.72 RAB9A (0.84) CCNCCDK8MEN1KMT2ARAB9A
SCHEMBL3181820 0.72 CCNC (0.74) CCNCCDK8MEN1KMT2ARAB9A
SCHEMBL1287890 0.72 CCNC (0.55) CCNCCDK8MEN1KMT2ARAB9A
SCHEMBL3166920 0.70 MAPT (0.68) CCNCCDK8MEN1KMT2ARAB9A
SCHEMBL668566 0.70 RAF1 (0.60) CCNCCDK8MEN1KMT2ARAB9A
SCHEMBL16628086 0.70 KDR (0.68) CCNCCDK8MEN1KMT2ARAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012047339-A2 ANTI-CXCR4 AS A SENSITIZER TO CANCER THERAPEUTICS THE GENERAL HOSPITAL CORPORATION (US) 2012-04-12 WO claimed
WO-2003000189-A2 PREDICTION, DIAGNOSIS AND TREATMENT OF ENDOCRINE RESISTANT BREAST CANCER, USING P38 MAPK PATHWAY BAYLOR COLLEGE OF MEDICINE (US) 2003-01-03 WO claimed
EP-3397963-A1 INHIBITION OF P38 MAPK FOR THE TREATMENT OF CANCER Board of Regents, The University of Texas System (US) 2018-11-07 EP disclosed
WO-2017117182-A1 INHIBITION OF P38 MAPK FOR THE TREATMENT OF CANCER BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-07-06 WO disclosed
WO-2012047339-A2 ANTI-CXCR4 AS A SENSITIZER TO CANCER THERAPEUTICS THE GENERAL HOSPITAL CORPORATION (US) 2012-04-12 WO disclosed
EP-2373784-A1 GENERATION AND MAINTENANCE OF STEM CELLS The Scripps Research Institute (US) 2011-10-12 EP disclosed
WO-2010077955-A1 GENERATION AND MAINTENANCE OF STEM CELLS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-07-08 WO disclosed
EP-1781267-A4 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX INC (US) 2009-03-11 EP disclosed
EP-1781267-A2 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS Combinatorx, Incorporated (US) 2007-05-09 EP disclosed
WO-2005115455-A2 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2005-12-08 WO disclosed