SCHEMBL9955933

SCHEMBL9955933

Cc1ccc(-c2cn3nc(-c4cccc(NC(=O)CCCCCCC(=O)NO)n4)ccc3n2)cc1NC(=O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 8/20 0.39
HDAC1 Q13547 8/20 0.39
HDAC2 Q92769 8/20 0.39
HDAC10 Q969S8 8/20 0.39
HDAC8 Q9BY41 8/20 0.39
HDAC6 Q9UBN7 6/20 0.39
HDAC4 P56524 4/20 0.39
HDAC7 Q8WUI4 4/20 0.39
HDAC11 Q96DB2 4/20 0.39
HDAC9 Q9UKV0 4/20 0.39
HDAC5 Q9UQL6 4/20 0.39
CSNK1D P48730 6/20 0.38
CSNK1E P49674 6/20 0.38
MAPT P10636 1/20 0.36
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
RIPK1 Q13546 2/20 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
SCHEMBL9955659 0.87 HDAC1 (0.43) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL9956029 0.82 MAPT (0.42) CSNK1DCSNK1EMAPTTP53RXFP1
SCHEMBL9956711 0.81 HDAC1 (0.38) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL9957428 0.81 CSNK1D (0.40) CSNK1DCSNK1EMAPTTP53RXFP1
SCHEMBL9956586 0.81 CSNK1D (0.41) HDAC3HDAC1HDAC2CSNK1DCSNK1E
SCHEMBL9955509 0.81 CSNK1D (0.37) HDAC1HDAC2HDAC8HDAC6CSNK1D
SCHEMBL9955744 0.81 HDAC1 (0.39) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL9954927 0.80 TP53 (0.43) HDAC8CSNK1DCSNK1EMAPTTP53
SCHEMBL9956235 0.80 CSNK1D (0.42) CSNK1DCSNK1EMAPTTP53RXFP1
SCHEMBL9955529 0.79 PIK3CG (0.43) HDAC1HDAC8HDAC6CSNK1DCSNK1E

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-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 claimed
US-8871767-B2 2-arylimidazo[1,2-B]pyridazine, 2-phenylimidazo[1,2-A]pyridine, and 2-phenylimidazo[1,2-A]pyrazine derivatives HENGRUI (USA) LTD. (US) 2014-10-28 US claimed
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