SCHEMBL21554559

SCHEMBL21554559

Cc1cnc2ccc(Nc3ccccc3)cc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 5/20 0.53
▸ PDGFRA P16234 5/20 0.53
▸ ABCG2 Q9UNQ0 3/20 0.50
▸ ABCB1 P08183 2/20 0.50
▸ ABCC1 P33527 2/20 0.50
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ KDM1A O60341 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CCNB2 O95067 1/20 0.44
▸ CDK1 P06493 1/20 0.44
▸ CCNB1 P14635 1/20 0.44
▸ CDK5 Q00535 1/20 0.44
▸ CDK5R1 Q15078 1/20 0.44
▸ CCNB3 Q8WWL7 1/20 0.44
▸ DOT1L Q8TEK3 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ MEN1 O00255 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
SCHEMBL21554556 0.83 PDGFRB (0.59) PDGFRBPDGFRAABCG2ABCB1ABCC1
SCHEMBL14788080 0.81 PDGFRB (0.47) PDGFRBPDGFRAABCG2ABCB1ABCC1
SCHEMBL21554722 0.81 PDGFRB (0.47) PDGFRBPDGFRAABCG2ABCB1ABCC1
SCHEMBL21554681 0.81 PDGFRB (0.47) PDGFRBPDGFRAABCG2ABCB1ABCC1
SCHEMBL19650188 0.77 CYP1A2 (0.56) PDGFRBPDGFRAABCG2ABCB1ABCC1
SCHEMBL10939039 0.77 KDM1A (0.70) ALDH1A1HPGDHSD17B10CYP3A4KDM1A
SCHEMBL4748569 0.73 LMNA (0.58) KDM1ANPSR1DOT1LCDK2MAPT
SCHEMBL27890181 0.73 TERT (0.69) DOT1LMEN1KMT2AALOX15
SCHEMBL4745308 0.73 NSD2 (0.49) HSD17B10KDM1ANPSR1DOT1LCDK2
SCHEMBL29340296 0.73 EGFR (0.50) PDGFRBPDGFRAABCG2ABCB1ABCC1

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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