SCHEMBL3841998

SCHEMBL3841998

CCn1c(C)c(C)c2ccnc(NCc3ccc(F)cc3)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
TP53 P04637 2/20 0.41
EGFR P00533 3/20 0.40
ERBB2 P04626 2/20 0.40
CACNA2D1 P54289 1/20 0.40
USP10 Q14694 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.40
USP13 Q92995 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
GFER P55789 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
Hydrochloric Acid SCHEMBL1736917 0.99 MAPT (0.43) MAPTTP53EGFRERBB2CACNA2D1
SCHEMBL3842136 0.90 WNT3A (0.41) MAPTKDM4EALDH1A1HPGDCYP1A2
Hydrochloric Acid SCHEMBL1735357 0.90 POLB (0.44) MAPTTP53EGFRERBB2CACNA2D1
Hydrochloric Acid SCHEMBL1736652 0.89 TP53 (0.41) MAPTTP53EGFRERBB2USP10
Hydrochloric Acid SCHEMBL1735583 0.89 WNT3A (0.41) MAPTKDM4EALDH1A1HPGDCYP1A2
SCHEMBL3841846 0.88 TP53 (0.40) MAPTTP53EGFRERBB2CACNA2D1
SCHEMBL3844990 0.88 LRRK2 (0.47) MAPTTP53EGFRCACNA2D1KDM4E
SCHEMBL3843126 0.88 MEN1 (0.45) EGFRKDM4EALDH1A1HPGDCYP1A2
Hydrochloric Acid SCHEMBL1735749 0.87 TP53 (0.39) MAPTTP53EGFRERBB2CACNA2D1
Hydrochloric Acid SCHEMBL1738514 0.87 LRRK2 (0.46) MAPTTP53EGFRCACNA2D1KDM4E

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-A4 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2009-09-09 EP claimed
JP-2008511621-A 2008-04-17 JP claimed
EP-1784404-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP claimed
WO-2006025716-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO claimed