SCHEMBL10169280

SCHEMBL10169280

O=C(Cc1ccc(-c2ccc(CN3CCNCC3)cc2)cn1)NCc1cccc(F)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.68
CHRM3 P20309 10/20 0.55
TUBB4A P04350 4/20 0.48
TUBB P07437 4/20 0.48
TUBA3C P0DPH7 4/20 0.48
TUBA1B P68363 4/20 0.48
TUBA4A P68366 4/20 0.48
TUBB4B P68371 4/20 0.48
TUBB3 Q13509 4/20 0.48
TUBB2A Q13885 4/20 0.48
TUBB8 Q3ZCM7 4/20 0.48
TUBA3E Q6PEY2 4/20 0.48
TUBA1A Q71U36 4/20 0.48
TUBA1C Q9BQE3 4/20 0.48
TUBB6 Q9BUF5 4/20 0.48
TUBB2B Q9BVA1 4/20 0.48
TUBB1 Q9H4B7 4/20 0.48
ABL1 P00519 1/20 0.48
LYN P07948 1/20 0.48
BCR P11274 1/20 0.48

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
SCHEMBL258014 0.91 SRC (0.71) SRCTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10084848 0.89 SRC (0.80) SRCTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL254944 0.89 SRC (0.68) SRCCHRM3TUBB4ATUBBTUBA3C
SCHEMBL255157 0.82 SRC (1.00) SRCTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL19291803 0.81 SRC (0.69) SRCCHRM3TUBB4ATUBBTUBA3C
SCHEMBL12301410 0.80 SRC (0.59) SRCCHRM3TUBB4ATUBBTUBA3C
SCHEMBL254904 0.80 SRC (0.69) SRCCHRM3TUBB4ATUBBTUBA3C
SCHEMBL10084852 0.80 SRC (0.84) SRCCHRM3TUBB4ATUBBTUBA3C
SCHEMBL13553566 0.79 CHRM3 (0.55) SRCCHRM3SIGMAR1
Kx2-361 SCHEMBL254057 0.79 SRC (1.00) SRCTUBB4ATUBBTUBA3CTUBA1B

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