SCHEMBL14570482

SCHEMBL14570482

O=C(c1ccc[nH]1)c1cc(Br)cnc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
NPC1 O15118 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
KMT2A Q03164 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MEN1 O00255 3/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 6/20 0.41
CYP1A2 P05177 4/20 0.41
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.38
CYP2D6 P10635 4/20 0.38
CYP1B1 Q16678 4/20 0.38
TDP1 Q9NUW8 2/20 0.37
CCND3 P30281 1/20 0.37
CDK6 Q00534 1/20 0.37
RECQL P46063 1/20 0.36
HSD17B10 Q99714 2/20 0.35
CYP1A1 P04798 2/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL29565508 0.76 SMN1; SMN2 (0.54) NPC1SMN1; SMN2KMT2AL3MBTL1POLB
SCHEMBL5534265 0.76 SMN1; SMN2 (0.54) NPC1SMN1; SMN2KMT2AL3MBTL1POLB
SCHEMBL758574 0.72 MAOA (0.47) RAB9ANPC1SMN1; SMN2KMT2AL3MBTL1
SCHEMBL983160 0.71 PLAU (0.37) RAB9ANPC1SMN1; SMN2KMT2APOLB
SCHEMBL427374 0.71 SMN1; SMN2 (0.46) SMN1; SMN2POLBKDM4EHSD17B10LMNA
SCHEMBL5536914 0.70 L3MBTL1 (0.46) RAB9ANPC1SMN1; SMN2KMT2AL3MBTL1
SCHEMBL1600624 0.70 OPRK1 (0.42) SMN1; SMN2CYP1A2HSD17B10MAOBMAPK1
SCHEMBL4482054 0.70 SMN1; SMN2 (0.44) SMN1; SMN2POLBKDM4EHSD17B10LMNA
Hydrochloric Acid SCHEMBL21457860 0.70 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1POLBKDM4E
SCHEMBL30036961 0.70 CASP1 (0.49) KMT2AMEN1MAPTKDM4EHTT

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
US-7186716-B2 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors SUGEN, INC. (US) 2007-03-06 US disclosed
US-7186716-B2 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors SUGEN, INC. (US) 2007-03-06 US disclosed