SCHEMBL17467977

SCHEMBL17467977

Cc1c(C(N)=O)cnc2nc(C(F)(F)F)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.39
GAA P10253 2/20 0.38
PDE4B Q07343 3/20 0.38
PARP1 P09874 2/20 0.37
NR1H2 P55055 3/20 0.36
NR1H3 Q13133 3/20 0.36
PIM1 P11309 1/20 0.36
TTK P33981 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
NNMT P40261 2/20 0.36
CDK8 P49336 1/20 0.35
CDK19 Q9BWU1 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34
ATF1 P18846 1/20 0.34
NFKB1 P19838 1/20 0.34
PDE11A Q9HCR9 1/20 0.34

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
SCHEMBL15736349 0.87 PDE4B (0.41) SYKGAAPDE4BNR1H2NR1H3
SCHEMBL2649173 0.74 TAS2R14 (0.39) SYKGAAPDE4BTGFBR1TRPV1
SCHEMBL17467966 0.73 CSF1R (0.39) SYKNNMTCDK8CDK19
SCHEMBL8568056 0.73 KDM4E (0.49) GAANR1H2NR1H3KMT2ALMNA
SCHEMBL30572236 0.72 LMNA (0.54) GAANNMTLMNA
SCHEMBL3550940 0.72 LMNA (0.54) GAANNMTLMNA
SCHEMBL27855175 0.72 CSF1R (0.51) SYKPARP1KMT2A
SCHEMBL8564446 0.72 KMT2A (0.55) KMT2ALMNAATF1NFKB1
SCHEMBL29207870 0.69 SYK (0.41) SYKGAAPDE4BPARP1KMT2A
SCHEMBL30775503 0.69 SYK (0.41) SYKGAAPDE4BPARP1KMT2A

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