SCHEMBL7090103

SCHEMBL7090103

Oc1ccc(-c2cc3cnc(NCCc4ccccc4)nc3[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 4/20 0.48
EGFR P00533 4/20 0.47
RIPK1 Q13546 3/20 0.46
ESR1 P03372 4/20 0.44
ESR2 Q92731 4/20 0.44
CSF1R P07333 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
KDR P35968 1/20 0.40
ULK1 O75385 1/20 0.40
SSTR3 P32745 1/20 0.40
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39

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
SCHEMBL1435666 0.74 EGFR (0.79) EGFRCSF1RHDAC3HDAC1HDAC2
SCHEMBL15336038 0.70 CCNB2 (0.49) RIPK1ADORA2AADORA1CCNB2CDK1
SCHEMBL27857052 0.69 APP (0.57) EGFRHDAC3HDAC1HDAC2HDAC6
SCHEMBL10999332 0.68 HDAC3 (0.51) STAT6HDAC3HDAC1HDAC2HDAC6
SCHEMBL22191357 0.68 HDAC3 (0.60) EGFRHDAC3HDAC1HDAC2HDAC6
Hydrochloric Acid SCHEMBL10585056 0.67 APP (0.56) EGFRHDAC3HDAC1HDAC2HDAC6
SCHEMBL11084759 0.66 STAT6 (0.58) STAT6HDAC3HDAC1HDAC2HDAC6
SCHEMBL17186572 0.66 APP (0.54) EGFRHDAC3HDAC1HDAC2HDAC6
SCHEMBL6257376 0.65 EGFR (0.61) EGFRCSF1RHDAC3HDAC1HDAC2
SCHEMBL22151175 0.65 APP (0.64) ESR1ESR2ADORA3ADORA2AADORA2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1332368-A2 METHODS FOR DETECTING THE EFFICACY OF ANTICANCER TREATMENTS Board of Regents, The University of Texas System (US) 2003-08-06 EP disclosed
WO-2002039121-A2 METHODS FOR DETECTING THE EFFICACY OF ANTICANCER TREATMENTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2002-05-16 WO disclosed