SCHEMBL23292472

SCHEMBL23292472

c1cc(-c2cn[nH]c2)nc([C@@H]2CCNC2)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.44
▸ FLT3 P36888 4/20 0.41
▸ SYK P43405 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.39
▸ MKNK2 Q9HBH9 1/20 0.39
▸ PRKD1 Q15139 3/20 0.39
▸ PRKD2 Q9BZL6 3/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ ROCK2 O75116 6/20 0.39
▸ ROCK1 Q13464 2/20 0.37
▸ NRAS P01111 3/20 0.37
▸ PDGFRB P09619 1/20 0.36
▸ CDK7 P50613 1/20 0.36
▸ IRAK1 P51617 1/20 0.36
▸ CCNH P51946 1/20 0.36

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
SCHEMBL23292474 1.00 MAPK8 (0.44) MAPK8FLT3SYKAURKBMKNK1
Hydrochloric Acid SCHEMBL23292386 0.75 IKBKB (0.55) MAPK8FLT3AURKBMKNK1MKNK2
Hydrochloric Acid SCHEMBL23292382 0.75 IKBKB (0.55) MAPK8FLT3AURKBMKNK1MKNK2
SCHEMBL23292345 0.72 MAPK8 (0.54) MAPK8FLT3SYKAURKBMKNK1
SCHEMBL23292348 0.72 MAPK8 (0.54) MAPK8FLT3SYKAURKBMKNK1
SCHEMBL13295147 0.72 HPGDS (0.48) MKNK1MKNK2PIM1
SCHEMBL28063327 0.71 HRH3 (0.42) MKNK1MKNK2
SCHEMBL2636155 0.71 HTR2C (0.39) —
SCHEMBL2636703 0.71 IDO1 (0.39) —
SCHEMBL13294782 0.70 MKNK1 (0.56) MKNK1MKNK2PRKD2PIM1IRAK1

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
EP-3813819-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES Kinnate Biopharma Inc. (US) 2021-05-05 — — EP disclosed
CN-112638373-A Cyclin-dependent kinase inhibitors 金耐特生物制药公司 2021-04-09 — — CN disclosed
Send feedback