SCHEMBL3526083

SCHEMBL3526083

Nc1noc2ccc(-c3ccccc3Nc3ccnn4ccnc34)cc12

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 16/20 0.37
▸ F2 P00734 7/20 0.37
▸ SCN9A Q15858 4/20 0.36
▸ CYP2C9 P11712 1/20 0.35
▸ CTRB1 P17538 2/20 0.34
▸ F9 P00740 1/20 0.34
▸ PLAU P00749 1/20 0.34
▸ PROC P04070 1/20 0.34
▸ F5 P12259 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
SCHEMBL3019853 0.77 SYK (0.42) —
SCHEMBL3021828 0.69 SYK (0.42) —
SCHEMBL14920215 0.62 KDR (0.38) F10F2SCN9ACYP2C9CTRB1
SCHEMBL15638204 0.62 MAP4K4 (0.44) SCN9ACYP2C9
SCHEMBL14072483 0.61 MAP4K4 (0.58) F9
SCHEMBL15638471 0.61 SCN9A (0.47) F10SCN9ACYP2C9
SCHEMBL15638882 0.61 TGFBR1 (0.48) F10SCN9ACYP2C9
SCHEMBL30117560 0.61 SCN9A (0.47) F10SCN9ACYP2C9
SCHEMBL18879021 0.60 SMPD3 (0.36) —
SCHEMBL3304308 0.60 JAK2 (0.43) F10

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-7723336-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-25 — — US claimed
Send feedback