SCHEMBL21068045

SCHEMBL21068045

CC(C)Nc1cc(NC2CCC(N)CC2)nc2ccnn12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 5/20 0.73
▸ CDK9 P50750 13/20 0.65
▸ CCNT1 O60563 12/20 0.65
▸ CDK4 P11802 5/20 0.65
▸ CCND1 P24385 5/20 0.65
▸ CDK7 P50613 4/20 0.65
▸ CCNH P51946 3/20 0.65
▸ CDK2 P24941 7/20 0.62
▸ ROCK2 O75116 1/20 0.59
▸ MAPK9 P45984 1/20 0.59
▸ GSK3B P49841 1/20 0.59
▸ MAP2K1 Q02750 1/20 0.59
▸ MAPKAPK5 Q8IW41 1/20 0.59
▸ CCNE1 P24864 3/20 0.58
▸ FLT3 P36888 1/20 0.58
▸ CCNA1 P78396 2/20 0.56
▸ CDK3 Q00526 2/20 0.56
▸ CDK13 Q14004 2/20 0.53
▸ CDK12 Q9NYV4 2/20 0.53
▸ CCNK O75909 1/20 0.53

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
SCHEMBL21946521 0.79 CCNT1 (1.00) CDK9CCNT1CDK4CCND1CDK7
Hydrochloric Acid SCHEMBL21877788 0.78 CCNT1 (0.98) CDK9CCNT1CDK4CCND1CDK7
SCHEMBL21946129 0.77 CDK9 (0.72) MAPKAPK2CDK9CCNT1CDK4CCND1
Hydrochloric Acid SCHEMBL21877609 0.76 CDK9 (0.70) MAPKAPK2CDK9CCNT1CDK4CCND1
SCHEMBL23752480 0.76 CDK2 (1.00) MAPKAPK2CDK2GSK3B
SCHEMBL21946404 0.75 CDK9 (0.88) MAPKAPK2CDK9CCNT1CDK4CCND1
SCHEMBL24174222 0.75 CDK9 (0.73) MAPKAPK2CDK9CCNT1CDK4CCND1
SCHEMBL21946121 0.75 CDK9 (0.73) MAPKAPK2CDK9CCNT1CDK4CCND1
SCHEMBL21946489 0.75 CDK9 (0.65) MAPKAPK2CDK9CCNT1CDK4CCND1
SCHEMBL3890298 0.75 MAPKAPK2 (0.80) MAPKAPK2CDK9CCNT1CDK4CCND1

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
US-20240034799-A1 METHODS AND SYSTEMS OF STRATIFYING INFLAMMATORY DISEASE PATIENTS CEDARS SINAI MEDICAL CENTER (US) 2024-02-01 — — US disclosed
US-20230279491-A1 TREATMENTS FOR A SUB-POPULATION OF INFLAMMATORY BOWEL DISEASE PATIENTS CEDARS-SINAI MEDICAL CENTER 2023-09-07 — — US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 — — US disclosed
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