SCHEMBL20848281

SCHEMBL20848281

CCc1cnn2c(NCc3ccccc3F)cc(NCC3CCNCC3)nc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 10/20 0.59
▸ CDK2 P24941 7/20 0.59
▸ CCNE1 P24864 5/20 0.59
▸ CCNH P51946 5/20 0.59
▸ MNAT1 P51948 5/20 0.59
▸ CDK1 P06493 5/20 0.59
▸ CDK9 P50750 3/20 0.45
▸ CDK4 P11802 2/20 0.45
▸ CDK6 Q00534 2/20 0.45
▸ CDK5 Q00535 2/20 0.45
▸ CDK8 P49336 1/20 0.45
▸ PIM3 Q86V86 6/20 0.41
▸ PIM2 Q9P1W9 6/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ PIM1 P11309 4/20 0.40
▸ RET P07949 1/20 0.40
▸ VCP P55072 1/20 0.39
▸ CDK12 Q9NYV4 1/20 0.39
▸ FLT3 P36888 2/20 0.38
▸ KCNH2 Q12809 2/20 0.38

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
SCHEMBL24791521 0.90 CCNE1 (0.57) CDK7CDK2CCNE1CCNHMNAT1
SCHEMBL24181327 0.88 CDK7 (0.47) CDK7CDK2CCNE1CCNHMNAT1
SCHEMBL22611879 0.87 CDK7 (0.63) CDK7CDK2CCNE1CCNHMNAT1
SCHEMBL24791694 0.86 CCNE1 (0.51) CDK7CDK2CCNE1CCNHMNAT1
SCHEMBL24792867 0.85 CDK2 (0.68) CDK7CDK2CCNE1CCNHMNAT1
SCHEMBL20848287 0.84 CDK7 (0.57) CDK7CDK2CCNE1CCNHMNAT1
SCHEMBL20848283 0.82 CDK7 (0.48) CDK7CDK2CCNE1CCNHMNAT1
SCHEMBL20848290 0.81 CDK7 (0.61) CDK7CDK2CCNE1CCNHMNAT1
SCHEMBL24792780 0.81 CDK2 (0.60) CDK7CDK2CCNE1CCNHMNAT1
SCHEMBL23562151 0.80 CDK7 (0.53) 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-3684769-B1 4-[[(7-AMINOPYRAZOLO[1,5-A]PYRIMIDIN-5-YL)AMINO]METHYL]PIPERIDIN-3-OL COMPOUNDS AS CDK INHIBITORS CARRICK THERAPEUTICS LTD (IE) 2022-01-12 — — EP disclosed
WO-2021122745-A1 4-[[(7-AMINOPYRAZOLO[1,5-A]PYRIMIDIN-5-YL)AMINO]METHYL]PIPERIDIN-3-OL COMPOUNDS AND THEIR THERAPEUTIC USE Carrick Therapeutics Limited (IE) 2021-06-24 — — WO disclosed
WO-2019057825-A1 4-[[(7-AMINOPYRAZOLO[1,5-A]PYRIMIDIN-5-YL)AMINO]METHYL]PIPERIDIN-3-OL COMPOUNDS AS CDK INHIBITORS Carrick Therapeutics Limited (IE) 2019-03-28 — — WO disclosed
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