SCHEMBL14306583

SCHEMBL14306583

Cc1nc(Nc2ccc(N3CCOCC3)cc2)nc2c1cc(Br)c(=O)n2C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ EGFR P00533 1/20 0.52
▸ FGFR1 P11362 2/20 0.52
▸ PDGFRB P09619 1/20 0.52
▸ SLC2A1 P11166 1/20 0.52
▸ SRC P12931 1/20 0.52
▸ PDGFRA P16234 1/20 0.52
▸ PKMYT1 Q99640 1/20 0.52
▸ CDK4 P11802 6/20 0.50
▸ CCND1 P24385 5/20 0.50
▸ CCND3 P30281 5/20 0.50
▸ CCND2 P30279 4/20 0.50
▸ CCNB2 O95067 2/20 0.50
▸ CDK1 P06493 2/20 0.50
▸ CCNB1 P14635 2/20 0.50
▸ CCNB3 Q8WWL7 2/20 0.50
▸ IGF1R P08069 6/20 0.48
▸ STAT3 P40763 1/20 0.45

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
SCHEMBL188921 0.88 MAPK1 (0.58) MAPTMAPK1TP53EGFRFGFR1
SCHEMBL189169 0.80 KDM4E (0.58) MAPK1FGFR1PDGFRBSRCCDK4
SCHEMBL4227763 0.79 CDK4 (0.51) FGFR1CDK4CCND1CCND3CCND2
SCHEMBL190014 0.78 KDM4E (0.58) MAPTMAPK1FGFR1PDGFRBPDGFRA
SCHEMBL4355205 0.78 KDM4E (0.50) MAPK1FGFR1PDGFRBPDGFRACDK4
SCHEMBL14306582 0.77 CDK4 (0.61) FGFR1PDGFRBPDGFRACDK4CCND1
SCHEMBL189897 0.77 KDM4E (0.57) MAPK1FGFR1CDK4CCND1CCND3
SCHEMBL4220812 0.77 PIK3CA (0.56) FGFR1CDK4CCND1CCND3CCND2
SCHEMBL188696 0.76 CDK4 (0.47) MAPK1EGFRFGFR1PDGFRBPDGFRA
SCHEMBL3338980 0.76 CDK4 (0.73) FGFR1PDGFRBPDGFRACDK4CCND1

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-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 — — WO disclosed
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