SCHEMBL27435289

SCHEMBL27435289

Cc1ccc(O)c(C)c1-n1nc(-c2ccncn2)c(C(N)=O)c1N

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKMYT1 Q99640 18/20 0.49
WEE1 P30291 3/20 0.45
MYT1 Q01538 2/20 0.45
CYP2C9 P11712 5/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2D6 P10635 2/20 0.43
CDK1 P06493 1/20 0.43
CREBBP Q92793 1/20 0.43
EPHB3 P54753 1/20 0.43
SRC P12931 2/20 0.43
KDR P35968 2/20 0.43
BRAF P15056 1/20 0.41

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
SCHEMBL27435282 0.86 PKMYT1 (0.50) PKMYT1WEE1MYT1CYP2C9CYP3A4
SCHEMBL27435285 0.84 SRC (0.60) PKMYT1WEE1MYT1CYP2C9CYP3A4
SCHEMBL27435279 0.81 PKMYT1 (0.47) PKMYT1WEE1MYT1CYP2C9CYP3A4
SCHEMBL27434859 0.81 PKMYT1 (0.47) PKMYT1WEE1MYT1CYP2C9CYP3A4
SCHEMBL31187575 0.80 PKMYT1 (0.47) PKMYT1WEE1MYT1CYP2C9CYP3A4
SCHEMBL27434703 0.79 SRC (0.53) PKMYT1WEE1MYT1CYP2C9CYP3A4
SCHEMBL31187571 0.79 PKMYT1 (0.61) PKMYT1WEE1MYT1CYP2C9CYP3A4
SCHEMBL31187569 0.79 PKMYT1 (0.45) PKMYT1WEE1MYT1CYP2C9CYP3A4
SCHEMBL31187566 0.79 PKMYT1 (0.47) PKMYT1WEE1MYT1CYP2C9CYP3A4
SCHEMBL31187572 0.79 PKMYT1 (0.61) PKMYT1WEE1MYT1CYP2C9CYP3A4

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-2024138109-A2 PHENYL-PYRAZOLE CARBOXAMIDE COMPOUNDS ACRIVON THERAPEUTICS, INC. (US) 2024-06-27 WO disclosed