SCHEMBL30359401

SCHEMBL30359401

CCNC1CCN(c2ccc(-c3ccc4ncc5nnc(N6C[C@@H](C)N(C)[C@@H](C)C6)n5c4n3)cc2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 1/20 0.34
▸ SYK P43405 2/20 0.33
▸ DYRK1A Q13627 1/20 0.31
▸ MAP4K4 O95819 2/20 0.31
▸ NPY2R P49146 1/20 0.31
▸ MTTP P55157 1/20 0.31
▸ WDR5 P61964 1/20 0.30
▸ AXL P30530 1/20 0.30
▸ TYRO3 Q06418 1/20 0.30
▸ MERTK Q12866 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL21541801 1.00 FFAR4 (0.34) FFAR4SYKDYRK1AMAP4K4NPY2R
SCHEMBL30359448 0.92 MELK (0.33) FFAR4SYKDYRK1AWDR5
SCHEMBL21541807 0.92 MELK (0.33) FFAR4SYKDYRK1AWDR5
SCHEMBL29559929 0.91 S1PR1 (0.33) WDR5
SCHEMBL21541836 0.91 S1PR1 (0.33) WDR5
SCHEMBL21541719 0.88 PRKDC (0.38) WDR5
SCHEMBL30359438 0.88 PRKDC (0.38) WDR5
SCHEMBL21541749 0.87 CSF1R (0.37) FFAR4DYRK1AMAP4K4
SCHEMBL21541763 0.83 CCNA2 (0.34) WDR5
SCHEMBL29559089 0.83 CCNA2 (0.34) WDR5

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-110167941-B Substituted fused heteroaryl compounds as kinase inhibitors and uses thereof 上海瑛派药业有限公司 2023-04-04 — — CN claimed
CN-110167941-B Substituted fused heteroaryl compounds as kinase inhibitors and uses thereof 上海瑛派药业有限公司 2023-04-04 — — CN disclosed
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