SCHEMBL14625656

SCHEMBL14625656

CBc1cccc(C(=N)NC#N)c1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.31
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 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
SCHEMBL13140955 0.75 C1S (0.52) SMN1; SMN2
SCHEMBL15660513 0.75 KMT2A (0.47) SMN1; SMN2
SCHEMBL4211209 0.73 KMT2A (0.43) SMN1; SMN2PRSS1PRSS2PRSS3
SCHEMBL17244472 0.66 CA12 (0.52)
SCHEMBL13140628 0.65 ACHE (0.35)
SCHEMBL9215228 0.65 POLB (0.50) SMN1; SMN2
SCHEMBL7950593 0.64 ENPP2 (0.44)
SCHEMBL24390454 0.63 WDR5 (0.48) SMN1; SMN2PRSS1PRSS2PRSS3
Water SCHEMBL27654065 0.63 ALDH1A1 (0.50)
SCHEMBL9220140 0.62 ALDH1A1 (0.39) SMN1; SMN2

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-2007003525-A2 CYCLIC ANILINO-PYRIDINOTRIAZINES AS GSK-3 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-11 WO disclosed