SCHEMBL30989675

SCHEMBL30989675

CCSc1cc(-c2ccc(C3CC3)cc2)cnc1-c1nc2cc(SC(F)(F)F)cnc2n1C

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 1/20 0.31
▸ CSF1R P07333 1/20 0.31
▸ NTRK2 Q16620 1/20 0.31
▸ BRD4 O60885 1/20 0.30
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30
▸ POLB P06746 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
SCHEMBL25887465 1.00 NTRK1 (0.31) NTRK1CSF1RNTRK2BRD4GRIN1
SCHEMBL30989708 0.88 CARM1 (0.31) —
SCHEMBL25887456 0.88 CARM1 (0.31) —
SCHEMBL30989696 0.88 POLB (0.42) GRIN1GRIN2BPOLB
SCHEMBL25887368 0.88 POLB (0.42) GRIN1GRIN2BPOLB
SCHEMBL31194302 0.86 POLB (0.35) GRIN1GRIN2BPOLB
SCHEMBL25885742 0.86 BRD4 (0.31) BRD4GRIN1GRIN2B
SCHEMBL30989653 0.86 BRD4 (0.31) BRD4GRIN1GRIN2B
SCHEMBL25314531 0.85 AKT1 (0.33) BRD4GRIN1GRIN2B
SCHEMBL25887514 0.81 CYP11B1 (0.35) POLB

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
CN-118355004-A Cyclopropyl- (heteroaryl) -substituted ethylsulfonyl-pyridine derivatives 勃林格殷格翰动物保健有限公司 2024-07-16 — — CN disclosed
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