SCHEMBL16628258

SCHEMBL16628258

O=C(c1cn(Cc2ccc(F)cn2)c2c(Cl)ccnc12)N1O[C@H]2CCCC[C@@H]21

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 1/20 0.32
▸ JAK2 O60674 1/20 0.30
▸ JAK1 P23458 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30

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
SCHEMBL21043472 0.78 NR3C1 (0.38) JAK2JAK1
SCHEMBL16593218 0.78 CHRM1 (0.53) CHRM1
SCHEMBL22001367 0.70 SMN1; SMN2 (0.36) —
SCHEMBL16593249 0.67 CHRM1 (0.50) CHRM1
SCHEMBL19997556 0.66 RPS6KB1 (0.42) —
SCHEMBL21042773 0.66 CHRM1 (0.61) CHRM1
SCHEMBL16593317 0.66 CHRM1 (0.61) CHRM1
SCHEMBL21042591 0.65 P2RX3 (0.49) CHRM1
SCHEMBL16593355 0.62 CHRM1 (0.63) CHRM1
SCHEMBL16593193 0.62 CHRM1 (0.63) CHRM1

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
WO-2015049574-A1 4-AZAINDOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-09 — — WO disclosed
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