SCHEMBL31344564

SCHEMBL31344564

COP(=O)(OC)c1ccccc1Nc1nc(Nc2c[nH]nc2C)ncc1Cl

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 8/20 0.54
▸ INSR P06213 6/20 0.54
▸ IGF1R P08069 6/20 0.54
▸ MAP4K1 Q92918 7/20 0.50
▸ ULK1 O75385 1/20 0.49
▸ CDK7 P50613 1/20 0.46
▸ CDK9 P50750 1/20 0.46
▸ PTK2 Q05397 1/20 0.46
▸ LRRK2 Q5S007 2/20 0.46

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
SCHEMBL31229842 0.91 ALK (0.62) ALKINSRIGF1RMAP4K1CDK7
SCHEMBL26717249 0.78 INSR (0.72) ALKINSRIGF1RMAP4K1CDK7
SCHEMBL30725504 0.77 BCL6 (0.53) ALKINSRIGF1RMAP4K1ULK1
SCHEMBL28969605 0.77 AURKA (0.69) PTK2
SCHEMBL24752248 0.76 PTK2 (0.60) ULK1PTK2
SCHEMBL24752259 0.75 PTK2 (0.59) ALKPTK2
SCHEMBL21557830 0.74 ALK (0.81) ALKINSRIGF1RMAP4K1PTK2
SCHEMBL29832975 0.74 MAP4K1 (0.56) ALKINSRIGF1RMAP4K1PTK2
SCHEMBL29832994 0.72 ALK (0.47) ALKINSRIGF1RMAP4K1ULK1
SCHEMBL29833039 0.72 ALK (0.50) ALKINSRIGF1RMAP4K1CDK7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024240118-A1 PREPARATION FOR AND USE OF HETEROARYL DERIVATIVES 广州智睿医药科技有限公司 2024-11-28 — — WO claimed
WO-2024240118-A1 PREPARATION FOR AND USE OF HETEROARYL DERIVATIVES 广州智睿医药科技有限公司 2024-11-28 — — WO disclosed
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