SCHEMBL13199988

SCHEMBL13199988

COc1cccc(CC(=O)Nc2cc(C(C)(C)C)on2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.62
FLT3 P36888 1/20 0.59
RAF1 P04049 3/20 0.59
EGFR P00533 1/20 0.54
KDM4E B2RXH2 1/20 0.54
ROCK1 Q13464 2/20 0.53
CCNA2 P20248 1/20 0.53
CDK2 P24941 1/20 0.53
CCNA1 P78396 1/20 0.53
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.52
ALDH1A1 P00352 1/20 0.52
USP2 O75604 1/20 0.51
CSNK1D P48730 1/20 0.50
MAPK13 O15264 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 0.50
MAPK14 Q16539 1/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL13199934 0.87 KDM4E (0.71) RETFLT3RAF1EGFRKDM4E
SCHEMBL13234464 0.84 RAF1 (0.62) FLT3RAF1ROCK1RAB9ANPC1
SCHEMBL13234653 0.82 RAF1 (0.58) RETFLT3RAF1ROCK1RAB9A
SCHEMBL13200166 0.81 FLT3 (0.55) RETFLT3RAF1KDM4EROCK1
SCHEMBL13200527 0.80 FLT3 (0.60) RETFLT3EGFRROCK1RAB9A
SCHEMBL13200555 0.80 FLT3 (0.73) RETFLT3RAF1EGFRROCK1
SCHEMBL13234565 0.79 RAF1 (0.73) FLT3RAF1RAB9ANPC1MAPK13
SCHEMBL13200476 0.79 FLT3 (0.65) RETFLT3RAF1EGFRKDM4E
SCHEMBL13234431 0.79 RAF1 (0.78) RETFLT3RAF1RAB9ANPC1
SCHEMBL5784227 0.78 RAF1 (0.56) RETFLT3RAF1RAB9ANPC1

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-7767670-B2 Substituted 3-carboxamido isoxazoles as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-08-03 US disclosed
US-7767670-B2 Substituted 3-carboxamido isoxazoles as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-08-03 US disclosed