SCHEMBL21554681

SCHEMBL21554681

Bc1cnc2ccc(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
▸ HPGD P15428 1/20 0.44
▸ CDK2 P24941 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ AR P10275 1/20 0.42
▸ TSHR P16473 2/20 0.42
▸ TDP1 Q9NUW8 2/20 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
▸ PTGS2 P35354 1/20 0.42
▸ HTR2B P41595 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
SCHEMBL21554722 0.81 PDGFRB (0.47) PDGFRBPDGFRAALDH1A1HSD17B10CYP3A4
SCHEMBL21554559 0.81 PDGFRB (0.53) PDGFRBPDGFRAALDH1A1HSD17B10CYP3A4
SCHEMBL21554556 0.79 PDGFRB (0.59) PDGFRBPDGFRAALDH1A1HSD17B10CYP3A4
SCHEMBL19650187 0.77 ALDH1A1 (0.49) PDGFRBPDGFRAALDH1A1HSD17B10CYP3A4
SCHEMBL18768864 0.73 PDGFRB (0.58) PDGFRBPDGFRACDK2MEN1MAPT
SCHEMBL20306100 0.73 PDGFRB (0.50) PDGFRBPDGFRACDK2MEN1MAPT
SCHEMBL28180830 0.72 PDE10A (0.52) PDGFRBPDGFRAALDH1A1HSD17B10HPGD
SCHEMBL16132933 0.71 ALDH1A1 (0.49) PDGFRBPDGFRAALDH1A1HSD17B10CYP3A4
SCHEMBL19650188 0.71 CYP1A2 (0.56) 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
Send feedback