SCHEMBL30180822

SCHEMBL30180822

Nc1ccc(-c2cn(-c3cccnc3)c3ncnc(N)c23)cc1F

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 17/20 0.55
▸ EGFR P00533 11/20 0.55
▸ ABL1 P00519 8/20 0.55
▸ ABL2 P42684 8/20 0.55
▸ CDK1 P06493 7/20 0.55
▸ KDR P35968 6/20 0.55
▸ RIPK2 O43353 1/20 0.53
▸ NEK7 Q8TDX7 1/20 0.53
▸ PI4KA P42356 1/20 0.46
▸ PI4K2B Q8TCG2 1/20 0.46
▸ PI4K2A Q9BTU6 1/20 0.46
▸ PI4KB Q9UBF8 1/20 0.46
▸ CSK P41240 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
SCHEMBL23966673 1.00 SRC (0.55) SRCEGFRABL1ABL2CDK1
SCHEMBL30180934 0.88 RIPK2 (0.56) SRCEGFRABL1ABL2CDK1
SCHEMBL23966926 0.88 RIPK2 (0.56) SRCEGFRABL1ABL2CDK1
SCHEMBL20351783 0.77 RIPK2 (0.61) SRCRIPK2
SCHEMBL30813603 0.75 SRC (0.48) SRCEGFRABL1ABL2CDK1
SCHEMBL27217632 0.75 SRC (0.48) SRCEGFRABL1ABL2CDK1
SCHEMBL25793524 0.74 NEK7 (0.83) NEK7
SCHEMBL7842356 0.74 SRC (0.82) SRCEGFRABL1ABL2CDK1
SCHEMBL24072588 0.74 PI4KB (0.57) SRCEGFRABL1ABL2CDK1
SCHEMBL29484520 0.74 PI4KB (0.57) SRCEGFRABL1ABL2CDK1

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
CN-115843272-A Inhibitors of NEK7 kinase 哈利亚治疗公司 2023-03-24 — — CN disclosed
EP-4146348-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. (US) 2023-03-15 — — EP disclosed
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