SCHEMBL13201010

SCHEMBL13201010

O=C(Nc1ccccc1)c1cc2ccccc2cn1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.75
LCK P06239 1/20 0.63
RAB9A P51151 3/20 0.61
NPC1 O15118 2/20 0.61
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
POLB P06746 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.58
CSF1R P07333 1/20 0.57
RET P07949 1/20 0.57
PDGFRB P09619 1/20 0.57
KIT P10721 1/20 0.57
PDGFRA P16234 1/20 0.57
FLT3 P36888 1/20 0.57
EGLN1 Q9GZT9 1/20 0.57
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
CNR1 P21554 2/20 0.55
P4HTM Q9NXG6 1/20 0.54

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
SCHEMBL30834279 0.82 RAB9A (0.73) EGFRLCKRAB9ANPC1KDM4E
SCHEMBL21200145 0.81 EGFR (0.52) EGFRLCKKDM4EPOLBCSF1R
SCHEMBL14224554 0.81 EGFR (0.52) EGFRLCKRAB9ANPC1KDM4E
SCHEMBL29866618 0.81 CBLB (0.64) EGFRCBLBMEN1KMT2A
SCHEMBL21200143 0.81 CBLB (0.64) EGFRCBLBMEN1KMT2A
SCHEMBL14876092 0.81 EGLN1 (0.57) EGFRCSF1RRETPDGFRBKIT
SCHEMBL1205195 0.80 EGFR (0.51) EGFRLCKRAB9ANPC1KDM4E
SCHEMBL11988788 0.80 EGFR (0.50) EGFRRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL213288 0.79 EGLN1 (0.60) EGFRALDH1A1CSF1RRETPDGFRB
SCHEMBL14883271 0.79 EGLN1 (0.56) EGFRRAB9ANPC1KDM4EALDH1A1

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 1 patent. 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