SCHEMBL24791458

SCHEMBL24791458

CC(C)c1cnn2c(NCc3ccc(-c4ccccn4)cc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 15/20 0.81
▸ CDK2 P24941 14/20 0.81
▸ CCNE1 P24864 8/20 0.81
▸ CCNH P51946 8/20 0.81
▸ CDK9 P50750 8/20 0.81
▸ MNAT1 P51948 7/20 0.81
▸ CDK1 P06493 7/20 0.81
▸ CDK5 Q00535 5/20 0.81
▸ CDK4 P11802 4/20 0.81
▸ CDK6 Q00534 4/20 0.81
▸ CDK8 P49336 3/20 0.81
▸ CCNT1 O60563 3/20 0.51
▸ CDK5R1 Q15078 2/20 0.51
▸ DYRK1A Q13627 2/20 0.51
▸ CCNA2 P20248 2/20 0.51
▸ DYRK3 O43781 1/20 0.51
▸ CLK1 P49759 1/20 0.51
▸ CLK2 P49760 1/20 0.51
▸ CLK3 P49761 1/20 0.51
▸ DYRK2 Q92630 1/20 0.51

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
SCHEMBL24792710 0.92 CDK7 (0.81) CDK7CDK2CCNE1CCNHCDK9
SCHEMBL24791459 0.91 CDK7 (0.91) CDK7CDK2CCNE1CCNHCDK9
SCHEMBL24792713 0.91 CDK2 (0.75) CDK7CDK2CCNE1CCNHCDK9
SCHEMBL24792384 0.90 CDK7 (0.74) CDK7CDK2CCNE1CCNHCDK9
SCHEMBL24791457 0.90 CDK2 (0.82) CDK7CDK2CCNE1CCNHCDK9
Ct-7001 SCHEMBL17032274 0.90 CDK7 (1.00) CDK7CDK2CCNE1CCNHCDK9
Ct-7001 SCHEMBL20016238 0.90 CDK7 (1.00) CDK7CDK2CCNE1CCNHCDK9
Ct-7001 SCHEMBL31249484 0.90 CDK7 (1.00) CDK7CDK2CCNE1CCNHCDK9
Ct-7001 SCHEMBL20848165 0.90 CDK7 (1.00) CDK7CDK2CCNE1CCNHCDK9
SCHEMBL24792717 0.89 CDK2 (0.63) CDK7CDK2CCNE1CCNHCDK9

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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