SCHEMBL28162237

SCHEMBL28162237

c1ccc(CNc2ncnc3c2ncn3-n2cnc3cncnc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 2/20 0.60
▸ CCNB2 O95067 1/20 0.57
▸ CCNB1 P14635 1/20 0.57
▸ CDK2 P24941 1/20 0.57
▸ CCNB3 Q8WWL7 1/20 0.57
▸ TMIGD3 P0DMS9 2/20 0.56
▸ ADORA2A P29274 2/20 0.56
▸ ADORA1 P30542 2/20 0.56
▸ RAB9A P51151 4/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ KMT2A Q03164 1/20 0.53
▸ EGFR P00533 4/20 0.49
▸ ADORA2B P29275 1/20 0.47
▸ HTT P42858 2/20 0.47
▸ ADORA3 P0DMS8 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ SLC29A1 Q99808 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL27965570 0.89 CDK1 (0.74) CDK1CCNB2CCNB1CDK2CCNB3
SCHEMBL726003 0.81 CDK1 (0.68) CDK1CCNB2CCNB1CDK2CCNB3
SCHEMBL27818514 0.78 DAPK1 (0.60) ADORA2AHPGDKMT2AHTTSLC29A1
Purine SCHEMBL8018839 0.77 CDK1 (0.71) CDK1CCNB2CCNB1CDK2CCNB3
SCHEMBL4382069 0.76 CDK1 (1.00) CDK1CCNB2CCNB1CDK2CCNB3
SCHEMBL28288451 0.75 CCNB2 (0.57) CDK1CCNB2CCNB1CCNB3TMIGD3
SCHEMBL17933852 0.75 ADORA2A (0.74) CDK1CCNB2CCNB1CDK2CCNB3
SCHEMBL28877662 0.75 CDK1 (0.69) CDK1CCNB2CCNB1CDK2CCNB3
SCHEMBL8378683 0.75 CDK1 (0.69) CDK1CCNB2CCNB1CDK2CCNB3
SCHEMBL20782357 0.74 CDK1 (0.71) CDK1CCNB2CCNB1CDK2CCNB3

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
CN-106818489-B A kind of lilac daphne stem section explant method for tissue culture primary 江苏农林职业技术学院 2019-03-15 — — CN disclosed
CN-107041303-A A kind of lilac daphne stem section explant primary tissue culture medium (TCM) 江苏农林职业技术学院 2017-08-15 — — CN disclosed
CN-106818489-A A kind of lilac daphne stem section explant primary method for tissue culture 江苏农林职业技术学院 2017-06-13 — — CN disclosed
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