SCHEMBL29375102

SCHEMBL29375102

Cc1ccc(F)c(NC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.69
PDGFRB P09619 8/20 0.69
RAB9A P51151 3/20 0.59
MAPT P10636 3/20 0.59
NPC1 O15118 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
PKM P14618 1/20 0.56
FLT3 P36888 5/20 0.48
KIT P10721 4/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
IDH1 O75874 1/20 0.47
LCK P06239 2/20 0.46
FLT1 P17948 2/20 0.46
FLT4 P35916 2/20 0.46
BLK P51451 2/20 0.46
ROCK2 O75116 1/20 0.46
MAP4K4 O95819 1/20 0.46
CDK1 P06493 1/20 0.46

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
SCHEMBL58763 1.00 KDR (0.69) KDRPDGFRBRAB9AMAPTNPC1
SCHEMBL59552 0.88 KDR (0.58) KDRPDGFRBRAB9AMAPTNPC1
SCHEMBL19067997 0.88 PDGFRB (0.55) KDRPDGFRBRAB9AMAPTNPC1
SCHEMBL12491398 0.86 PDGFRB (0.56) KDRPDGFRBRAB9AMAPTNPC1
SCHEMBL31212719 0.85 KDR (0.61) KDRPDGFRBFLT3KITCA1
SCHEMBL57825 0.85 KDR (0.61) KDRPDGFRBFLT3KITCA1
SCHEMBL424260 0.84 KDR (0.55) KDRPDGFRBRAB9AMAPTNPC1
SCHEMBL59133 0.84 KDR (0.51) KDRPDGFRBRAB9ANPC1SMN1; SMN2
SCHEMBL422410 0.84 NPC1 (0.59) KDRPDGFRBRAB9AMAPTNPC1
SCHEMBL17200537 0.84 PDGFRB (0.50) KDRPDGFRBRAB9AMAPTNPC1

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
WO-2022026380-A1 UREA INHIBITORS OF MICRO-RNA BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-02-03 WO disclosed