SCHEMBL30567526

SCHEMBL30567526

NC(=O)c1cc(C2=CCNCC2)cc2nc[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.41
▸ CCNT1 O60563 2/20 0.39
▸ CDK9 P50750 2/20 0.39
▸ QDPR P09417 3/20 0.38
▸ FTO Q9C0B1 1/20 0.37
▸ SIGMAR1 Q99720 2/20 0.37
▸ HTR2C P28335 6/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ TBK1 Q9UHD2 1/20 0.35

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
SCHEMBL30567535 0.81 SCN9A (0.41) SCN9ACCNT1CDK9QDPRFTO
SCHEMBL30567544 0.78 PLK4 (0.44) SCN9ACCNT1CDK9QDPRFTO
Hydrochloric Acid SCHEMBL29267957 0.77 PLK4 (0.43) SCN9ACCNT1CDK9QDPRFTO
SCHEMBL30567553 0.72 SCN9A (0.40) SCN9ACCNT1CDK9QDPRSIGMAR1
SCHEMBL24597166 0.72 SOS1 (0.45) CCNT1CDK9FTO
SCHEMBL31484704 0.68 CHEK1 (0.43) —
SCHEMBL19374274 0.67 QDPR (0.51) QDPRSIGMAR1HTR2C
SCHEMBL4690601 0.67 IKBKB (0.56) SIGMAR1HTR2C
SCHEMBL5603681 0.67 QDPR (0.61) SCN9AQDPRSIGMAR1HTR2C
SCHEMBL16676625 0.66 SCN9A (0.50) SCN9ACCNT1CDK9FTOSIGMAR1

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-116916914-A SOS1 inhibitors and uses thereof 锐新医药公司 2023-10-20 — — CN disclosed
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