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SCHEMBL31058902

SCHEMBL31058902

CC(C)(C)OC(=O)Nc1c(-c2cc(F)ccc2F)ccnc1C1CCC(F)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 9/20 0.38
▸ CCNT1 O60563 8/20 0.38
▸ GSK3B P49841 2/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ ATR Q13535 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RORC P51449 3/20 0.35
▸ NTRK1 P04629 2/20 0.34
▸ DHODH Q02127 1/20 0.34
▸ IDO1 P14902 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
SCHEMBL26152085 1.00 CDK9 (0.38) CDK9CCNT1GSK3BGSK3AATR
SCHEMBL30418690 1.00 CDK9 (0.38) CDK9CCNT1GSK3BGSK3AATR
SCHEMBL25184331 0.89 CDK9 (0.38) CDK9CCNT1GSK3BGSK3AATR
SCHEMBL26152084 0.87 ABL1 (0.39) CDK9CCNT1GSK3BGSK3AMAPT
SCHEMBL26152245 0.83 CDK9 (0.38) CDK9CCNT1GSK3BGSK3AATR
SCHEMBL30418688 0.83 CDK9 (0.38) CDK9CCNT1GSK3BGSK3AATR
SCHEMBL29262974 0.81 RORC (0.39) CDK9CCNT1GSK3BGSK3AATR
SCHEMBL31058906 0.81 RORC (0.39) CDK9CCNT1GSK3BGSK3AATR
SCHEMBL26152105 0.81 RORC (0.39) CDK9CCNT1GSK3BGSK3AATR
SCHEMBL30419249 0.79 ATR (0.56) ATR

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-118251389-A Pyridyl derivatives as sodium channel activators 泽农医药公司 2024-06-25 — — CN disclosed