SCHEMBL30162044

SCHEMBL30162044

c1c(N2CCCC2)nc(Nc2cc3c(cn2)cnn3CC2CCCCC2)nc1N1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 14/20 0.49
▸ CCND1 P24385 7/20 0.49
▸ CDK6 Q00534 6/20 0.42
▸ CASP1 P29466 2/20 0.41
▸ CASP4 P49662 2/20 0.41
▸ CASP5 P51878 2/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ PIM3 Q86V86 1/20 0.41
▸ PIM2 Q9P1W9 1/20 0.41
▸ AURKA O14965 1/20 0.40
▸ RET P07949 1/20 0.40
▸ MET P08581 1/20 0.40
▸ KIT P10721 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ AXL P30530 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ MERTK Q12866 1/20 0.40
▸ CCND2 P30279 3/20 0.38
▸ CCND3 P30281 3/20 0.38

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
SCHEMBL24851179 1.00 CDK4 (0.49) CDK4CCND1CDK6CASP1CASP4
SCHEMBL24851155 0.97 CDK4 (0.45) CDK4CCND1CDK6CASP1CASP4
SCHEMBL30161933 0.97 CDK4 (0.45) CDK4CCND1CDK6CASP1CASP4
SCHEMBL30161986 0.86 CASP1 (0.46) CDK4CCND1CDK6CASP1CASP4
SCHEMBL24852373 0.86 CASP1 (0.46) CDK4CCND1CDK6CASP1CASP4
SCHEMBL24851095 0.85 CDK4 (0.43) CDK4CCND1CDK6CASP1CASP4
SCHEMBL30161877 0.85 CDK4 (0.43) CDK4CCND1CDK6CASP1CASP4
SCHEMBL24851900 0.84 CDK4 (0.44) CDK4CCND1CDK6CASP1CASP4
SCHEMBL30162011 0.84 CDK4 (0.44) CDK4CCND1CDK6CASP1CASP4
SCHEMBL24851285 0.83 PIM1 (0.45) CASP1CASP4CASP5PIM1PIM3

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-2023278483-A1 COMPOUNDS HAVING 1H-PYRAZOLO[4,3-C]PYRIDIN-6-AMINOS AS THERAPEUTIC AGENTS LOMOND THERAPEUTICS, INC. (US) 2023-01-05 — — WO disclosed
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