SCHEMBL31577218

SCHEMBL31577218

CNc1nc(Nc2ccc(CN3CCN(C)[C@@H](C)C3)cc2)cnc1-c1cncc2c1ncn2C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 2/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CDK4 P11802 1/20 0.35
▸ CCND3 P30281 1/20 0.35
▸ CDK6 Q00534 1/20 0.35
▸ HIF1A Q16665 4/20 0.32
▸ EPAS1 Q99814 4/20 0.32
▸ FLT3 P36888 2/20 0.31
▸ IDH1 O75874 1/20 0.31
▸ CDK2 P24941 1/20 0.30
▸ CCNA1 P78396 1/20 0.30
▸ AXL P30530 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
SCHEMBL31577243 1.00 CCNA2 (0.35) CCNA2CDK1CDK4CCND3CDK6
SCHEMBL31577264 0.88 HRH3 (0.33) FLT3AXL
SCHEMBL31577208 0.88 HRH3 (0.33) FLT3AXL
SCHEMBL31577202 0.88 CDK1 (0.37) CDK1FLT3AXL
SCHEMBL24943817 0.84 IKBKE (0.36) CCNA2CDK1CDK4CCND3CDK6
SCHEMBL24944452 0.84 IKBKE (0.36) CCNA2CDK1CDK4CCND3CDK6
SCHEMBL30801807 0.84 IKBKE (0.36) CCNA2CDK1CDK4CCND3CDK6
SCHEMBL24943822 0.84 IKBKE (0.36) CCNA2CDK1CDK4CCND3CDK6
SCHEMBL31577233 0.82 CCNC (0.36) —
Formic Acid SCHEMBL31195388 0.82 IKBKE (0.34) CCNA2CDK1CDK4CCND3CDK6

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
EP-4373817-B1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2025-05-21 — — EP claimed
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