SCHEMBL24792387

SCHEMBL24792387

N#Cc1cnn2c(NCc3ccc(-c4ccccn4)cc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 9/20 0.60
▸ CDK7 P50613 8/20 0.60
▸ CCNE1 P24864 5/20 0.60
▸ CCNH P51946 5/20 0.60
▸ MNAT1 P51948 5/20 0.60
▸ CDK1 P06493 4/20 0.60
▸ CDK9 P50750 3/20 0.60
▸ CDK5 Q00535 3/20 0.60
▸ CDK4 P11802 2/20 0.60
▸ CDK6 Q00534 2/20 0.60
▸ CDK8 P49336 1/20 0.60
▸ CSNK2A2 P19784 4/20 0.48
▸ CHEK1 O14757 3/20 0.40
▸ CCNA2 P20248 3/20 0.40
▸ CCNA1 P78396 2/20 0.40
▸ GSK3B P49841 2/20 0.39
▸ GPR39 O43194 1/20 0.38
▸ DYRK3 O43781 1/20 0.36
▸ CCNT1 O60563 1/20 0.36
▸ CLK1 P49759 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
SCHEMBL24793471 0.91 CDK7 (0.68) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL24792712 0.89 CDK2 (0.63) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL24792773 0.89 CDK2 (0.63) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL24792778 0.88 CDK2 (0.57) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL24792717 0.88 CDK2 (0.63) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL24791458 0.87 CDK7 (0.81) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL24791518 0.87 CSNK2A2 (0.54) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL24792979 0.85 CSNK2A2 (0.53) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL30083569 0.81 CDK2 (0.57) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL24791462 0.81 CDK7 (0.63) 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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