SCHEMBL24791495

SCHEMBL24791495

CN(C[C@H]1CCNC[C@@H]1O)c1cc(NCc2ccc(-c3ccccn3)cc2)n2ncc(C3CC3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 11/20 0.48
▸ CDK7 P50613 8/20 0.48
▸ CCNE1 P24864 7/20 0.48
▸ CCNH P51946 5/20 0.48
▸ MNAT1 P51948 5/20 0.48
▸ CDK5 Q00535 5/20 0.48
▸ CDK9 P50750 4/20 0.48
▸ CDK1 P06493 4/20 0.48
▸ CDK4 P11802 2/20 0.48
▸ CDK6 Q00534 2/20 0.48
▸ CDK8 P49336 1/20 0.48
▸ CCNA2 P20248 4/20 0.39
▸ CHEK1 O14757 3/20 0.39
▸ CCNA1 P78396 3/20 0.39
▸ GPR39 O43194 1/20 0.39
▸ CCNT1 O60563 2/20 0.39
▸ DYRK1A Q13627 2/20 0.39
▸ CDK5R1 Q15078 2/20 0.39
▸ DYRK3 O43781 1/20 0.39
▸ CLK1 P49759 1/20 0.39

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
SCHEMBL24791676 0.89 CDK2 (0.45) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL24792712 0.86 CDK2 (0.63) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL24791665 0.84 GPR39 (0.43) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL24791659 0.80 CDK2 (0.45) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL24791683 0.80 CDK2 (0.45) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL24791684 0.80 CDK2 (0.45) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL24791650 0.80 GSK3B (0.56) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL24791444 0.79 CDK2 (0.49) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL30083466 0.79 CDK2 (0.49) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL24792971 0.78 CDK2 (0.47) CDK2CDK7CCNE1CCNHMNAT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4355426-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE-7-AMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE Carrick Therapeutics Limited (IE) 2024-04-24 — — EP disclosed
WO-2022263604-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE-7-AMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE Carrick Therapeutics Limited (IE) 2022-12-22 — — WO disclosed
WO-2022263604-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE-7-AMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE Carrick Therapeutics Limited (IE) 2022-12-22 — — WO disclosed
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