SCHEMBL24793441

SCHEMBL24793441

CCc1cnn2c(NCc3ccc(-c4ccccn4)cc3F)cc(NC[C@H]3CCNC[C@@H]3O)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 9/20 0.55
▸ CDK7 P50613 8/20 0.55
▸ CCNE1 P24864 7/20 0.55
▸ CCNH P51946 5/20 0.55
▸ MNAT1 P51948 5/20 0.55
▸ CDK1 P06493 4/20 0.55
▸ CDK4 P11802 2/20 0.55
▸ CDK9 P50750 2/20 0.55
▸ CDK6 Q00534 2/20 0.55
▸ CDK5 Q00535 2/20 0.55
▸ CDK8 P49336 1/20 0.55
▸ GSK3B P49841 1/20 0.38
▸ PIM2 Q9P1W9 4/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ IRAK4 Q9NWZ3 2/20 0.36
▸ CHEK1 O14757 2/20 0.36
▸ CCNA2 P20248 2/20 0.36
▸ CCNA1 P78396 2/20 0.36
▸ GPR39 O43194 1/20 0.36
▸ PIM3 Q86V86 3/20 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
SCHEMBL30083538 1.00 CDK2 (0.55) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL30083488 0.91 CDK7 (0.54) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL24792975 0.91 CDK2 (0.54) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL24792392 0.91 CDK7 (0.54) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL24793439 0.91 CDK2 (0.60) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL31304770 0.91 CDK2 (0.60) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL24792717 0.90 CDK2 (0.63) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL24791694 0.89 CCNE1 (0.51) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL22611879 0.88 CDK7 (0.63) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL24793440 0.83 CDK7 (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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