SCHEMBL24620276

SCHEMBL24620276

C=C1NCc2cccc(Nc3nc(Nc4cc5c(cc4C)CN(C(C)C)CC5)ncc3C)c21

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 4/20 0.45
▸ MAP4K1 Q92918 9/20 0.43
▸ CSF1R P07333 1/20 0.37
▸ CDK4 P11802 1/20 0.37
▸ CDK6 Q00534 1/20 0.37
▸ ALK Q9UM73 5/20 0.36
▸ BRD4 O60885 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
SCHEMBL24620488 0.83 MAP4K1 (0.42) BTKMAP4K1CDK4ALK
SCHEMBL24620485 0.83 BTK (0.47) BTKMAP4K1ALK
SCHEMBL24620264 0.80 MAP4K1 (0.56) MAP4K1
SCHEMBL24620188 0.80 MAP4K1 (0.56) MAP4K1
SCHEMBL24620202 0.76 MAP4K1 (0.41) BTKMAP4K1ALK
SCHEMBL24620377 0.74 ALK (0.57) MAP4K1ALK
SCHEMBL30833012 0.74 ALK (0.57) MAP4K1ALK
SCHEMBL24620199 0.74 IGF1R (0.34) CDK6
SCHEMBL24620455 0.74 MAP4K1 (0.51) BTKMAP4K1ALK
SCHEMBL24620354 0.73 BRD4 (0.47) CDK6ALKBRD4

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-2022147622-A1 ISOINDOLINONE AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-07-14 — — WO disclosed
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