SCHEMBL24793458

SCHEMBL24793458

COc1cccnc1-c1ccc(CNc2cc(NCC3CCNCC3)nc3c(C4CC4)cnn23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 7/20 0.55
▸ CDK7 P50613 6/20 0.55
▸ CCNE1 P24864 6/20 0.55
▸ CCNH P51946 4/20 0.55
▸ MNAT1 P51948 4/20 0.55
▸ CDK1 P06493 3/20 0.55
▸ CDK9 P50750 3/20 0.43
▸ CDK4 P11802 2/20 0.43
▸ CDK6 Q00534 2/20 0.43
▸ CDK5 Q00535 2/20 0.43
▸ CDK8 P49336 1/20 0.43
▸ PIM1 P11309 4/20 0.40
▸ PIM3 Q86V86 3/20 0.40
▸ PIM2 Q9P1W9 3/20 0.40
▸ FLT3 P36888 2/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40

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
SCHEMBL24792992 0.91 CDK7 (0.51) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL24791662 0.90 CDK7 (0.71) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL24791460 0.89 CDK7 (0.58) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL24792994 0.87 CDK7 (0.60) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL24793530 0.87 CDK7 (0.53) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL24791651 0.84 CDK2 (0.60) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL24791440 0.84 CDK2 (0.54) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL30083481 0.84 KCNN3 (0.44) CDK2CCNE1GSK3BMEN1KMT2A
SCHEMBL24792407 0.84 CDK7 (0.68) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL24791481 0.82 CCNE1 (0.50) 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
Send feedback