SCHEMBL10169279

SCHEMBL10169279

O=C(Cc1cnc(-c2ccc(OCCN3CCNCC3)cc2F)nc1)NCc1cncc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.46
ROCK1 Q13464 5/20 0.40
TUBB4A P04350 3/20 0.40
TUBB P07437 3/20 0.40
TUBA3C P0DPH7 3/20 0.40
TUBA1B P68363 3/20 0.40
TUBA4A P68366 3/20 0.40
TUBB4B P68371 3/20 0.40
TUBB3 Q13509 3/20 0.40
TUBB2A Q13885 3/20 0.40
TUBB8 Q3ZCM7 3/20 0.40
TUBA3E Q6PEY2 3/20 0.40
TUBA1A Q71U36 3/20 0.40
TUBA1C Q9BQE3 3/20 0.40
TUBB6 Q9BUF5 3/20 0.40
TUBB2B Q9BVA1 3/20 0.40
TUBB1 Q9H4B7 3/20 0.40
ABL1 P00519 1/20 0.40
LYN P07948 1/20 0.40
BCR P11274 1/20 0.40

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
SCHEMBL254395 0.91 SRC (0.46) SRCROCK1TUBB4ATUBBTUBA3C
SCHEMBL19291939 0.90 ROCK1 (0.46) SRCROCK1TUBB4ATUBBTUBA3C
SCHEMBL14047244 0.89 TUBB4A (0.51) SRCROCK1TUBB4ATUBBTUBA3C
SCHEMBL19291932 0.87 SRC (0.44) SRCROCK1TUBB4ATUBBTUBA3C
SCHEMBL19291940 0.87 SRC (0.43) SRCROCK1TUBB4ATUBBTUBA3C
SCHEMBL19291935 0.86 SRC (0.45) SRCROCK1TUBB4ATUBBTUBA3C
SCHEMBL19291938 0.86 ROCK1 (0.44) SRCROCK1TUBB4ATUBBTUBA3C
SCHEMBL14047223 0.84 SRC (0.45) SRCROCK1TUBB4ATUBBTUBA3C
SCHEMBL19291933 0.84 ROCK1 (0.41) SRCROCK1TUBB4ATUBBTUBA3C
SCHEMBL12782530 0.84 SRC (0.42) SRCROCK1TUBB4ATUBBTUBA3C

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-1836169-B9 COMPOSITIONS AND METHODS OF TREATING CELL PROLIFERATION DISORDERS KINEX PHARMACEUTICALS LLC (US) 2012-07-04 EP disclosed
EP-1836169-B1 COMPOSITIONS AND METHODS OF TREATING CELL PROLIFERATION DISORDERS KINEX PHARMACEUTICALS LLC (US) 2012-02-08 EP disclosed