SCHEMBL22804149

SCHEMBL22804149

Cc1ccc2ccc(-c3ccc(C(F)(F)F)cc3)nc2n1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 6/20 0.40
KIF11 P52732 1/20 0.40
RAD51 Q06609 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL2615265 0.77 CCR1 (0.54) TRPV3KIF11
SCHEMBL22804124 0.77 ADORA1 (0.58) RAB9AADORA2AADORA1
SCHEMBL22824639 0.75 TOP1 (0.51)
SCHEMBL2615845 0.75 KIF11 (0.45) TRPV3KIF11RAD51KDM4ELMNA
SCHEMBL1107881 0.73 TRPV3 (0.39) TRPV3KIF11KDM4E
SCHEMBL27642559 0.71 TRPV3 (0.44) TRPV3KIF11RAD51LMNATHRB
SCHEMBL1549538 0.71 KIF11 (0.46) TRPV3KIF11RAD51NPC1ADORA2A
SCHEMBL13906450 0.71 CASP1 (0.42) TRPV3KIF11RAD51LMNATHRB
SCHEMBL11962309 0.71 CCR1 (0.47) TRPV3RAB9A
SCHEMBL28316951 0.71 CCR1 (0.39) KDM4ERAB9A

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
CN-110272417-B 2-methyl-1, 8-naphthyridine compound and preparation method and application thereof 五邑大学 2021-07-13 CN disclosed
WO-2020253415-A1 2-METHYL-1,8-NAPHTHYRIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREFOR 五邑大学 2020-12-24 WO disclosed
WO-2020253415-A1 2-METHYL-1,8-NAPHTHYRIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREFOR 五邑大学 2020-12-24 WO disclosed