SCHEMBL1736396

SCHEMBL1736396

CCc1c(C)c2ccnc(N3CCc4ccccc4C3)c2n1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.40
ALDH1A1 P00352 3/20 0.39
TSHR P16473 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
GRIN2D O15399 3/20 0.38
GRIN3B O60391 3/20 0.38
GRIN1 Q05586 3/20 0.38
GRIN2A Q12879 3/20 0.38
GRIN2B Q13224 3/20 0.38
GRIN2C Q14957 3/20 0.38

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 SCHEMBL1737873 0.99 MDM2 (0.40) MDM2ALDH1A1TSHRKDM4EMAPT
SCHEMBL1737232 0.90 MDM2 (0.41) MDM2ALDH1A1TSHRKDM4EMAPT
SCHEMBL1736608 0.90 HSD17B10 (0.41) ALDH1A1TSHRKDM4EMAPTHPGD
SCHEMBL1739551 0.90 GRIN2D (0.45) ALDH1A1TSHRKDM4EMAPTHPGD
SCHEMBL1737479 0.90 ALDH1A1 (0.48) ALDH1A1TSHRKDM4EMAPTHPGD
Hydrochloric Acid SCHEMBL1736689 0.89 MDM2 (0.41) MDM2ALDH1A1TSHRKDM4EMAPT
Hydrochloric Acid SCHEMBL1737901 0.89 HSD17B10 (0.41) ALDH1A1TSHRKDM4EMAPTHPGD
SCHEMBL1737576 0.89 ALDH1A1 (0.42) ALDH1A1TSHRKDM4EMAPTHPGD
Hydrochloric Acid SCHEMBL1737821 0.89 GRIN2D (0.44) ALDH1A1TSHRKDM4EMAPTHPGD
Hydrochloric Acid SCHEMBL1738427 0.89 ALDH1A1 (0.48) ALDH1A1TSHRKDM4EMAPTHPGD

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 5 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-A4 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2009-09-09 EP disclosed
EP-1784404-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP disclosed
WO-2006025716-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO disclosed