SCHEMBL28459634

SCHEMBL28459634

CC(C)c1cnn2c(Br)cc(Br)nc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 15/20 0.33
▸ CDK2 P24941 11/20 0.33
▸ CCNH P51946 10/20 0.33
▸ MNAT1 P51948 8/20 0.33
▸ CCNE1 P24864 6/20 0.33
▸ CDK5 Q00535 5/20 0.33
▸ CDK5R1 Q15078 4/20 0.33
▸ CCNT1 O60563 3/20 0.33
▸ CDK1 P06493 3/20 0.33
▸ CDK9 P50750 3/20 0.33
▸ CDK4 P11802 2/20 0.33
▸ CCNB1 P14635 2/20 0.33
▸ CCND1 P24385 2/20 0.33
▸ CDK8 P49336 2/20 0.33
▸ CDK6 Q00534 2/20 0.33
▸ GSK3B P49841 2/20 0.33
▸ INSRR P14616 1/20 0.33
▸ MAPK3 P27361 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CSNK1A1 P48729 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
SCHEMBL23994152 0.73 GSK3B (0.31) GSK3B
SCHEMBL2737272 0.70 KDM4E (0.54) —
SCHEMBL1367838 0.69 CDK7 (0.36) CDK7CDK2CCNHMNAT1CCNE1
SCHEMBL1370649 0.69 CDK2 (0.40) CDK7CDK2CCNHMNAT1CCNE1
SCHEMBL24408250 0.69 HAVCR2 (0.35) CDK7CDK2CCNHMNAT1CCNE1
SCHEMBL26973993 0.68 CDK2 (0.33) CDK7CDK2CCNHMNAT1CCNE1
SCHEMBL23181411 0.68 RAB9A (0.54) CDK7CDK2CCNHMNAT1CCNE1
SCHEMBL20971704 0.68 MAPT (0.54) CDK7CDK2CCNHMNAT1CCNE1
SCHEMBL26974008 0.68 CDK2 (0.40) CDK7CDK2CCNHMNAT1CCNE1
SCHEMBL25590741 0.68 KDM4E (0.37) CDK7CDK2CCNHMNAT1CCNE1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109988172-B Synthesis method of pyrazolo [1,5-A ] pyrimidine heterocyclic compound and derivative 石家庄学院 2020-09-29 — — CN claimed
CN-109988172-B Synthesis method of pyrazolo [1,5-A ] pyrimidine heterocyclic compound and derivative 石家庄学院 2020-09-29 — — CN disclosed
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