SCHEMBL31398956

SCHEMBL31398956

CC(C)(C)OC(=O)N1CCC(N2Cc3cc4c(Cl)ncnc4n3CC2=O)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 5/20 0.42
▸ EGFR P00533 3/20 0.42
▸ ABL1 P00519 2/20 0.41
▸ ABL2 P42684 2/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PIK3CD O00329 3/20 0.41
▸ USP30 Q70CQ3 2/20 0.40
▸ TNF P01375 2/20 0.39
▸ LITAF Q99732 2/20 0.39
▸ NR3C1 P04150 3/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ADORA1 P30542 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ THRB P10828 1/20 0.37

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
SCHEMBL31398996 0.89 SRC (0.50) SRCEGFRABL1ABL2PIK3CA
SCHEMBL31398985 0.81 SRC (0.43) SRCEGFRABL1ABL2PIK3CA
SCHEMBL31398964 0.75 SRC (0.52) SRCEGFRABL1ABL2PIK3CA
SCHEMBL9950465 0.75 SRC (0.54) SRCEGFRABL1ABL2PIK3CA
SCHEMBL515118 0.75 SRC (0.54) SRCEGFRABL1ABL2PIK3CA
SCHEMBL31399002 0.74 SRC (0.53) SRCEGFRABL1ABL2PIK3CA
SCHEMBL31398863 0.72 JAK2 (0.39) PIK3CDUSP30MAPT
SCHEMBL1449722 0.71 TNF (0.46) SRCEGFRTNFLITAFNR3C1
SCHEMBL515111 0.71 GPR119 (0.57) SRCEGFRABL1ABL2PIK3CD
SCHEMBL952015 0.71 TP53 (0.45) KDM4EMAPTTHRB

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-119176813-A Tricyclic heterocyclic compound with FGFR inhibition effect, pharmaceutical composition containing tricyclic heterocyclic compound and application of pharmaceutical composition 上海科恩泰生物医药科技有限公司 2024-12-24 — — CN disclosed
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