SCHEMBL9957485

SCHEMBL9957485

Cc1ccc(-c2cn3nc(-c4cccnc4C(F)(F)F)ccc3n2)cc1NC(=O)CCCCCCC(=O)NOC1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TP53 P04637 2/20 0.34
LMNA P02545 1/20 0.34
RIPK1 Q13546 3/20 0.33
RXFP1 Q9HBX9 2/20 0.33
MAPK14 Q16539 2/20 0.33
SMO Q99835 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
WDR5 P61964 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
SCHEMBL9955769 0.85 MAPT (0.43) MAPTKDM4EALDH1A1HPGDCYP1A2
SCHEMBL9956572 0.85 MAPT (0.42) MAPTKDM4EALDH1A1HPGDCYP1A2
SCHEMBL9956496 0.85 MAPT (0.43) MAPTKDM4EALDH1A1HPGDCYP1A2
SCHEMBL17328346 0.85 MAPT (0.44) MAPTKDM4EALDH1A1HPGDCYP1A2
SCHEMBL9956280 0.84 MAPT (0.42) MAPTKDM4EALDH1A1HPGDCYP1A2
SCHEMBL9956694 0.84 MAPT (0.43) MAPTKDM4EALDH1A1HPGDCYP1A2
SCHEMBL9956493 0.82 MAPT (0.39) MAPTKDM4EALDH1A1HPGDCYP1A2
SCHEMBL9956205 0.82 KDM4E (0.41) MAPTKDM4EALDH1A1HPGDCYP1A2
SCHEMBL9956895 0.82 NPC1 (0.38) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL9956690 0.80 MAPT (0.39) MAPTKDM4EALDH1A1HPGDCYP1A2

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