SCHEMBL3248162

SCHEMBL3248162

O=C(NCc1cccc(F)c1)Nc1ccc(-c2cn[nH]c2)cc1OCCN1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.57
SRC P12931 3/20 0.57
ROCK1 Q13464 3/20 0.53
KDR P35968 2/20 0.48
CDC42BPA Q5VT25 1/20 0.46
ABL1 P00519 1/20 0.45
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
LYN P07948 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
BCR P11274 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45
TUBA1A Q71U36 1/20 0.45
TUBA1C Q9BQE3 1/20 0.45

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
SCHEMBL3249341 0.91 ROCK2 (0.59) ROCK2SRCROCK1KDRCDC42BPA
SCHEMBL3248059 0.91 ROCK2 (0.57) ROCK2SRCROCK1KDRCDC42BPA
SCHEMBL3242746 0.89 ROCK2 (0.58) ROCK2ROCK1KDRCDC42BPA
SCHEMBL3129438 0.84 ROCK2 (0.68) ROCK2ROCK1KDRCDC42BPA
SCHEMBL3241420 0.83 ROCK2 (0.59) ROCK2ROCK1KDRCDC42BPA
SCHEMBL3247570 0.83 ROCK2 (0.57) ROCK2ROCK1KDRCDC42BPA
SCHEMBL3246082 0.82 ROCK2 (0.61) ROCK2ROCK1CDC42BPA
SCHEMBL13390977 0.80 ROCK2 (0.57) ROCK2SRCROCK1KDRCDC42BPA
SCHEMBL3251367 0.79 ROCK2 (0.49) ROCK2ROCK1KDRCDC42BPAHTR2A
SCHEMBL10132803 0.79 SRC (0.57) ROCK2SRCROCK1KDRHTR2A

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
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO claimed
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO disclosed