SCHEMBL14236254

SCHEMBL14236254

CCc1cnc(-c2c[nH]c3ncncc23)nc1N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LATS1 O95835 1/20 0.41
▸ RPS6KA5 O75582 1/20 0.39
▸ ROCK2 O75116 4/20 0.38
▸ ROCK1 Q13464 4/20 0.38
▸ CDC42BPB Q9Y5S2 4/20 0.38
▸ LRRK2 Q5S007 8/20 0.38
▸ STK3 Q13188 2/20 0.37
▸ CDC7 O00311 1/20 0.37
▸ ROS1 P08922 1/20 0.37
▸ KIT P10721 1/20 0.37
▸ MARK3 P27448 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ MAP2K1 Q02750 1/20 0.37
▸ MAP3K10 Q02779 1/20 0.37
▸ MELK Q14680 1/20 0.37
▸ MARK4 Q96L34 1/20 0.37
▸ CAMKK2 Q96RR4 1/20 0.37
▸ SIK2 Q9H0K1 1/20 0.37
▸ CAMK2A Q9UQM7 1/20 0.37

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
SCHEMBL5075075 0.83 RPS6KA5 (0.41) LATS1RPS6KA5ROCK2ROCK1CDC42BPB
SCHEMBL14236575 0.76 ROCK2 (0.44) LATS1RPS6KA5ROCK2ROCK1CDC42BPB
SCHEMBL14238607 0.71 JAK3 (0.36) ROCK2ROCK1CDC42BPBMARK3JAK3
SCHEMBL14327598 0.70 JAK2 (0.38) —
SCHEMBL25505874 0.69 LMNA (0.44) JAK3
SCHEMBL1797434 0.69 RPS6KA5 (0.42) LATS1RPS6KA5CAMKK2BAZ2ACCNT1
SCHEMBL5635477 0.68 PIM1 (0.41) ROCK2ROCK1CDC42BPB
SCHEMBL5635759 0.68 PIM1 (0.41) ROCK2ROCK1CDC42BPB
SCHEMBL5635485 0.68 PIM1 (0.41) ROCK2ROCK1CDC42BPB
SCHEMBL5078760 0.68 CHUK (0.42) ROCK2ROCK1FLT3CDK2

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-2532667-A1 Deazapurines useful as inhibitors of janus kinases Vertex Pharmaceuticals Incorporated (US) 2012-12-12 — — EP disclosed
EP-1931674-B1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMA (US) 2012-12-12 — — EP disclosed
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