SCHEMBL21554722

SCHEMBL21554722

Oc1cnc2ccc(Nc3ccccc3)cc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 5/20 0.47
▸ PDGFRA P16234 5/20 0.47
▸ ALDH1A1 P00352 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ AR P10275 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ MAPK1 P28482 1/20 0.42

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
SCHEMBL14788080 0.81 PDGFRB (0.47) PDGFRBPDGFRAALDH1A1HSD17B10CYP3A4
SCHEMBL21554681 0.81 PDGFRB (0.47) PDGFRBPDGFRAALDH1A1HSD17B10CYP3A4
SCHEMBL21554559 0.81 PDGFRB (0.53) PDGFRBPDGFRAALDH1A1HSD17B10CYP3A4
SCHEMBL21554556 0.79 PDGFRB (0.59) PDGFRBPDGFRAALDH1A1HSD17B10CYP3A4
SCHEMBL22122109 0.78 KDR (0.59) PDGFRBPDGFRAALDH1A1TSHRKDM4E
SCHEMBL42594 0.72 BCHE (0.53) PDGFRBPDGFRAALDH1A1HSD17B10HPGD
SCHEMBL29559272 0.72 BCHE (0.53) PDGFRBPDGFRAALDH1A1HSD17B10HPGD
SCHEMBL24188600 0.71 NQO2 (0.50) PDGFRBPDGFRAKDM4ENPC1RAB9A
SCHEMBL16132933 0.71 ALDH1A1 (0.49) PDGFRBPDGFRAALDH1A1HSD17B10CYP3A4
SCHEMBL19650187 0.71 ALDH1A1 (0.49) PDGFRBPDGFRAALDH1A1HSD17B10CYP3A4

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
EP-2776408-B1 ANTICANCER BENZOPYRAZINES VIA THE INHIBITION OF FGFR KINASES ASTEX THERAPEUTICS LTD (GB) 2019-11-06 — — EP disclosed
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