SCHEMBL9956513

SCHEMBL9956513

COC(=O)CCCCCCC(=O)Nc1ccc(-c2ccc3nc(-c4ccc(C)c(NC(=O)C(C)(C)C)c4)cn3n2)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 3/20 0.39
MAPT P10636 2/20 0.39
RORC P51449 3/20 0.38
PTPRC P08575 3/20 0.37
PTPN13 Q12923 1/20 0.37
S1PR1 P21453 1/20 0.35
CSNK1D P48730 3/20 0.35
CSNK1E P49674 3/20 0.35
HDAC8 Q9BY41 1/20 0.34
RORA P35398 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
CDK8 P49336 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL9956678 0.99 RXFP1 (0.40) RXFP1LMNATP53MAPTRORC
SCHEMBL9956711 0.93 HDAC1 (0.38) RXFP1LMNATP53MAPTRORC
SCHEMBL9955744 0.92 HDAC1 (0.39) RXFP1LMNATP53MAPTS1PR1
SCHEMBL9954927 0.89 TP53 (0.43) RXFP1LMNATP53MAPTRORC
SCHEMBL9955833 0.87 GCGR (0.35) RXFP1S1PR1CSNK1DCSNK1E
SCHEMBL9956560 0.84 HDAC1 (0.38) RXFP1LMNATP53MAPTS1PR1
SCHEMBL9957125 0.84 HDAC1 (0.38) RXFP1LMNATP53MAPTS1PR1
SCHEMBL9956649 0.84 PDK2 (0.38) RXFP1TP53MAPTS1PR1CSNK1D
SCHEMBL9955790 0.84 PDK2 (0.38) RXFP1TP53MAPTS1PR1CSNK1D
SCHEMBL9956364 0.83 MAPT (0.37) RXFP1LMNATP53MAPTCSNK1D

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