SCHEMBL24310753

SCHEMBL24310753

Cc1cccc(C)c1-c1cc(Oc2cc(N3CCN(C)CC3)cc(Cl)c2Cl)nc(NSc2cnn(C)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 3/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ EGFR P00533 3/20 0.34
▸ TNK2 Q07912 2/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ BRD4 O60885 4/20 0.33
▸ PTK2 Q05397 3/20 0.33
▸ CCNK O75909 2/20 0.32
▸ CCND3 P30281 2/20 0.32
▸ CDK9 P50750 2/20 0.32
▸ CDK6 Q00534 2/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ LCK P06239 1/20 0.32

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
SCHEMBL24310751 0.87 MAP4K1 (0.34) MAP4K1IRAK4EGFRTNK2IGF1R
SCHEMBL24309442 0.84 BRD4 (0.37) MAP4K1IRAK4EGFRTNK2BRD4
SCHEMBL29566947 0.84 BRD4 (0.37) MAP4K1IRAK4EGFRTNK2BRD4
SCHEMBL24309954 0.83 HTR1D (0.36) MAP4K1EGFR
SCHEMBL24310533 0.83 MAP4K1 (0.35) MAP4K1EGFR
SCHEMBL24310284 0.81 MAP4K1 (0.37) MAP4K1TNK2BRD4
SCHEMBL24309575 0.81 NPC1 (0.33) BRD4
SCHEMBL24309583 0.81 DYRK1A (0.35) MAP4K1TNK2PTK2
SCHEMBL24309422 0.81 MAP4K1 (0.33) MAP4K1TNK2BRD4CCNKCCND3
SCHEMBL24309553 0.79 MAP4K1 (0.31) MAP4K1

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
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
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