SCHEMBL9956895

SCHEMBL9956895

Cc1ccc(-c2cn3nc(-c4ccc(NC(=O)CCCCCCC(=O)NOC5CCCCO5)cc4)ccc3n2)cc1NC(=O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
TP53 P04637 5/20 0.36
RXFP1 Q9HBX9 4/20 0.36
MAPT P10636 4/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RIPK1 Q13546 1/20 0.34
TTK P33981 1/20 0.34
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34
LDLR P01130 2/20 0.33
PIK3CG P48736 1/20 0.33

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
SCHEMBL9955447 0.86 NPC1 (0.39) NPC1RAB9ARXFP1RIPK1CSNK1D
SCHEMBL9956029 0.84 MAPT (0.42) NPC1RAB9ATP53RXFP1MAPT
SCHEMBL9954927 0.84 TP53 (0.43) NPC1RAB9ATP53RXFP1MAPT
SCHEMBL9955659 0.84 HDAC1 (0.43) RAB9ATP53RXFP1MAPTLMNA
SCHEMBL9957088 0.84 TGFBR1 (0.39) NPC1RAB9ALMNAKDM4EALDH1A1
SCHEMBL9955957 0.83 TGFBR1 (0.38) NPC1RAB9ARXFP1MAPTRIPK1
SCHEMBL9957485 0.82 MAPT (0.38) NPC1RAB9ATP53RXFP1MAPT
SCHEMBL9956009 0.78 KDR (0.37) NPC1RAB9ARIPK1
SCHEMBL9957147 0.75 CSNK1D (0.44) NPC1RAB9ATP53RXFP1MAPT
SCHEMBL9956513 0.74 RXFP1 (0.39) TP53RXFP1MAPTLMNACSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635578-A1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES Hengrui (USA) Ltd. (US) 2013-09-11 EP claimed
WO-2012088411-A1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES PAMLICO PHARMACEUTICAL INC. (US) 2012-06-28 WO claimed
EP-2635578-B1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES HENGRUI USA LTD (US) 2015-12-16 EP disclosed