SCHEMBL24792389

SCHEMBL24792389

O[C@H]1CNCC[C@@H]1CNc1cc(NCc2ccc(-c3ccc(F)cn3)cc2)n2ncc(C3CC3)c2n1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 9/20 0.58
▸ CDK2 P24941 8/20 0.58
▸ CCNE1 P24864 6/20 0.58
▸ CCNH P51946 6/20 0.58
▸ MNAT1 P51948 6/20 0.58
▸ CDK1 P06493 5/20 0.58
▸ CDK9 P50750 3/20 0.58
▸ CDK4 P11802 2/20 0.58
▸ CDK6 Q00534 2/20 0.58
▸ CDK5 Q00535 2/20 0.58
▸ CDK8 P49336 1/20 0.58
▸ CHEK1 O14757 4/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CCNA1 P78396 1/20 0.40
▸ GSK3B P49841 2/20 0.38
▸ IRAK4 Q9NWZ3 2/20 0.35
▸ GPR39 O43194 1/20 0.34
▸ P2RX3 P56373 1/20 0.33

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
SCHEMBL30083625 0.90 CDK7 (0.64) CDK7CDK2CCNE1CCNHMNAT1
SCHEMBL24791465 0.90 CDK7 (0.64) CDK7CDK2CCNE1CCNHMNAT1
SCHEMBL24792712 0.89 CDK2 (0.63) CDK7CDK2CCNE1CCNHMNAT1
SCHEMBL24792823 0.88 CDK7 (0.55) CDK7CDK2CCNE1CCNHMNAT1
SCHEMBL24793474 0.87 CDK7 (0.70) CDK7CDK2CCNE1CCNHMNAT1
SCHEMBL24792806 0.87 CDK7 (0.58) CDK7CDK2CCNE1CCNHMNAT1
SCHEMBL24791462 0.86 CDK7 (0.63) CDK7CDK2CCNE1CCNHMNAT1
SCHEMBL20848289 0.85 CDK7 (0.77) CDK7CDK2CCNE1CCNHMNAT1
SCHEMBL24792388 0.84 CDK7 (0.59) CDK7CDK2CCNE1CCNHMNAT1
SCHEMBL24792802 0.84 CDK7 (0.58) CDK7CDK2CCNE1CCNHMNAT1

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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