SCHEMBL1735566

SCHEMBL1735566

CCCn1c(C)c(C)c2ccnc(CN(C)c3ccc(F)cc3)c21

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
DYRK1A Q13627 1/20 0.32
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
HASPIN Q8TF76 1/20 0.31
DHFR P00374 1/20 0.30
MAPK13 O15264 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 1/20 0.30
PKM P14618 1/20 0.30

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
Hydrochloric Acid SCHEMBL1739430 0.99 ALDH1A1 (0.32) ALDH1A1HPGDKDM4ETSHRHSD17B10
SCHEMBL1739311 0.91 MAPT (0.32) KDM4ETSHRCYP3A4KMT2ADHFR
Hydrochloric Acid SCHEMBL1736865 0.90 MAPT (0.32) DHFR
SCHEMBL1737580 0.88 MAPK14 (0.33) ALDH1A1RAB9AMAPK13MAPK12MAPK11
SCHEMBL1738214 0.88 MAPK14 (0.35) ALDH1A1HPGDHSD17B10CYP3A4RAB9A
Hydrochloric Acid SCHEMBL1737646 0.87 MAPK14 (0.32) ALDH1A1MAPK13MAPK12MAPK11MAPK14
Hydrochloric Acid SCHEMBL1737721 0.87 MAPK14 (0.35) ALDH1A1HPGDHSD17B10CYP3A4RAB9A
SCHEMBL1736207 0.86 MCL1 (0.36) ALDH1A1HPGDKDM4ETSHRHSD17B10
SCHEMBL1737328 0.86 DHFR (0.32) ALDH1A1KDM4EHASPINDHFR
Hydrochloric Acid SCHEMBL1739136 0.85 MCL1 (0.36) ALDH1A1HPGDKDM4ETSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP claimed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US claimed
EP-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP disclosed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US disclosed