SCHEMBL24072588

SCHEMBL24072588

Cc1cn(-c2cccnc2)c2ncnc(N)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PI4KB Q9UBF8 2/20 0.57
▸ PI4KA P42356 1/20 0.57
▸ PI4K2B Q8TCG2 1/20 0.57
▸ PI4K2A Q9BTU6 1/20 0.57
▸ SRC P12931 7/20 0.55
▸ EGFR P00533 7/20 0.55
▸ CDK1 P06493 3/20 0.55
▸ ABL1 P00519 5/20 0.50
▸ KDR P35968 4/20 0.50
▸ ABL2 P42684 4/20 0.50
▸ PIK3CD O00329 10/20 0.47
▸ PIK3CB P42338 3/20 0.46
▸ PIK3CA P42336 2/20 0.46
▸ PIK3CG P48736 2/20 0.46
▸ HCK P08631 1/20 0.46
▸ MTOR P42345 1/20 0.46
▸ EPHB4 P54760 1/20 0.46
▸ PRKDC P78527 1/20 0.46
▸ CYP2E1 P05181 2/20 0.44
▸ CYP2A6 P11509 2/20 0.44

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
SCHEMBL24072905 0.83 SRC (0.50) PI4KBPI4KAPI4K2BPI4K2ASRC
SCHEMBL29484520 0.83 PI4KB (0.57) PI4KBPI4KAPI4K2BPI4K2ASRC
SCHEMBL16236479 0.83 PI4KB (0.57) PI4KBPI4KAPI4K2BPI4K2ASRC
Ammonia Solution, Strong SCHEMBL30181004 0.81 PI4KB (0.54) PI4KBPI4KAPI4K2BPI4K2ASRC
SCHEMBL26813955 0.76 SRC (0.47) PI4KBPI4KAPI4K2BPI4K2ASRC
SCHEMBL26813988 0.75 SRC (0.46) SRCEGFRCDK1ABL1KDR
SCHEMBL30180822 0.74 SRC (0.55) PI4KBPI4KAPI4K2BPI4K2ASRC
SCHEMBL23966673 0.74 SRC (0.55) PI4KBPI4KAPI4K2BPI4K2ASRC
SCHEMBL27217632 0.73 SRC (0.48) PI4KBPI4KAPI4K2BPI4K2ASRC
SCHEMBL30813603 0.73 SRC (0.48) PI4KBPI4KAPI4K2BPI4K2ASRC

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-2021242505-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. (US) 2021-12-02 — — WO disclosed
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