SCHEMBL17467966

SCHEMBL17467966

Cc1c(C(N)=O)cnc2cc(C(F)(F)F)ncc12

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 11/20 0.39
DHODH Q02127 2/20 0.39
NNMT P40261 4/20 0.37
SYK P43405 1/20 0.37
CDK8 P49336 1/20 0.36
CDK19 Q9BWU1 1/20 0.36
LRRK2 Q5S007 1/20 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
SCHEMBL15737300 0.87 DHODH (0.44) DHODHSYK
SCHEMBL27855175 0.79 CSF1R (0.51) CSF1RSYK
SCHEMBL4719793 0.79 NNMT (0.54) NNMTSYKCDK8CDK19
SCHEMBL26337674 0.75 NNMT (0.42) DHODHNNMTSYKCDK8CDK19
SCHEMBL29812246 0.73 KMT2A (0.39) CSF1RNNMTSYK
SCHEMBL17467977 0.73 SYK (0.39) NNMTSYKCDK8CDK19
SCHEMBL17467968 0.71 KMT2A (0.42) CSF1RNNMTSYK
SCHEMBL31696427 0.70 KDM4E (0.41) SYK
SCHEMBL19117674 0.70 P2RX3 (0.37) NNMTSYK
SCHEMBL2987993 0.69 KMT2A (0.38) SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9248122-B2 Heteroquinoline-3-carboxamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2016-02-02 US disclosed