SCHEMBL13867940

SCHEMBL13867940

CN1CCC[C@H]1COc1cc(NC(=O)c2cccnc2Nc2ccc3cn[nH]c3c2)cc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.56
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44
TRPV1 Q8NER1 3/20 0.41
DDR2 Q16832 3/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 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
SCHEMBL187826 1.00 KDR (0.56) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4554641 1.00 KDR (0.56) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4553064 0.93 KDR (0.52) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4554186 0.93 KDR (0.54) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13867895 0.90 KDR (0.51) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4765293 0.88 TUBB4A (0.45) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4553873 0.87 KDR (0.54) KDRTRPV1LMNAMETNPC1
SCHEMBL3903045 0.86 KDR (0.55) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL198207 0.86 KDR (0.55) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3902473 0.86 KDR (0.56) KDRTUBB4ATUBBTUBA3CTUBA1B

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
US-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 US disclosed
US-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 US disclosed