SCHEMBL7016757

SCHEMBL7016757

CC(C)(C)OC(=O)C(Oc1cc(NC(=O)c2cccnc2NCc2ccc(F)cc2)cc(C(F)(F)F)c1)C1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.53
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43
TUBB2B Q9BVA1 1/20 0.43
TUBB1 Q9H4B7 1/20 0.43
PDPK1 O15530 4/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41

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
SCHEMBL6223751 0.90 KDR (0.49) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6229719 0.90 KDR (0.51) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6223944 0.88 KDR (0.62) KDRCITMAP3K7RIPK2STK10
SCHEMBL6224462 0.85 PDPK1 (0.44) KDRPDPK1ALDH1A1KDM4EGAA
SCHEMBL6223556 0.85 KDR (0.58) KDRALDH1A1MEN1MAPTKMT2A
SCHEMBL7012450 0.83 KDR (0.59) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6105755 0.83 KDR (0.59) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6224503 0.83 KDR (0.51) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6103553 0.81 KDR (0.55) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5265455 0.79 RXFP1 (0.41) 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
EP-1358161-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Amgen Inc. (US) 2003-11-05 EP disclosed
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 WO disclosed