SCHEMBL24824411

SCHEMBL24824411

CC(C)c1ccnc(NC2COC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.49
▸ CDK9 P50750 1/20 0.49
▸ MKNK1 Q9BUB5 9/20 0.46
▸ MKNK2 Q9HBH9 9/20 0.46
▸ HTR3A P46098 1/20 0.41
▸ CDK4 P11802 4/20 0.39
▸ CCNA2 P20248 4/20 0.39
▸ CCND1 P24385 4/20 0.39
▸ CDK2 P24941 4/20 0.39
▸ CDK1 P06493 3/20 0.39
▸ CCNB1 P14635 3/20 0.39
▸ CCNA1 P78396 3/20 0.39
▸ CCND3 P30281 2/20 0.39
▸ CDK6 Q00534 2/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ IDH1 O75874 1/20 0.37
▸ IDH2 P48735 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ MAPK3 P27361 1/20 0.36

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
SCHEMBL17148506 0.86 MKNK1 (0.52) CCNT1CDK9MKNK1MKNK2HTR3A
SCHEMBL83995 0.85 CDK4 (0.47) CDK9HTR3ACDK4CCNA2CCND1
SCHEMBL14004978 0.85 MAPK1 (0.57) CCNT1CDK9MKNK1MKNK2HTR3A
SCHEMBL84414 0.83 CDK1 (0.54) CCNT1CDK9MKNK2CDK4CCNA2
SCHEMBL84078 0.81 CDK1 (0.56) MKNK2CDK4CCNA2CCND1CDK2
SCHEMBL14383122 0.79 CDK4 (0.59) CCNT1CDK9MKNK1MKNK2CDK4
SCHEMBL19098459 0.76 MKNK1 (0.52) MKNK1MKNK2CCNA2CDK2IDH1
SCHEMBL21566708 0.75 CCNT1 (0.49) CCNT1CDK9MKNK1MKNK2CDK4
SCHEMBL84411 0.75 CDK7 (0.50) CCNT1CDK9MKNK1MKNK2CDK4
SCHEMBL21064115 0.74 MAPK1 (0.54) CCNT1CDK9MKNK1MKNK2CCNA2

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-2022272060-A1 EP2 ANTAGONIST COMPOUNDS RESERVOIR NEUROSCIENCE, INC. (US) 2022-12-29 — — WO disclosed
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