SCHEMBL29277198

SCHEMBL29277198

c1cc2cnc(Nc3ccc(N4CCOCC4)cc3)nc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.60
▸ JAK2 O60674 2/20 0.58
▸ TTK P33981 5/20 0.56
▸ TTBK1 Q5TCY1 1/20 0.56
▸ TTBK2 Q6IQ55 1/20 0.56
▸ IGF1R P08069 1/20 0.56
▸ CDK4 P11802 5/20 0.54
▸ CCND1 P24385 4/20 0.54
▸ CCND3 P30281 3/20 0.54
▸ CCND2 P30279 2/20 0.54
▸ AURKA O14965 1/20 0.54
▸ TP53 P04637 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ PLK4 O00444 1/20 0.53
▸ CDK2 P24941 4/20 0.53
▸ CDK1 P06493 3/20 0.53
▸ CCNB1 P14635 3/20 0.53
▸ CCNE1 P24864 3/20 0.53
▸ STAT6 P42226 1/20 0.53

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
SCHEMBL29813554 0.86 EGFR (0.62) TTKCDK4CCND1CCND3CCND2
SCHEMBL1072153 0.85 SYK (0.55) SYKJAK2CDK4CCND1CDK2
SCHEMBL1674211 0.82 JAK2 (0.59) SYKJAK2TTKTTBK1TTBK2
SCHEMBL7991106 0.80 TTBK1 (0.56) SYKJAK2TTKTTBK1TTBK2
SCHEMBL413904 0.79 TTBK1 (0.55) SYKJAK2TTKTTBK1TTBK2
SCHEMBL4378562 0.79 TTK (0.66) JAK2TTKTTBK1TTBK2AURKA
SCHEMBL24243309 0.78 TTK (0.67) JAK2TTKTTBK1TTBK2AURKA
SCHEMBL8083844 0.78 TTK (0.62) JAK2TTKTTBK1TTBK2AURKA
SCHEMBL29576176 0.77 SYK (0.60) SYKJAK2IGF1RCDK4CCND1
SCHEMBL1360345 0.76 PIK3CA (0.58) TTBK1TTBK2IGF1RMAPK1CDK2

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
CN-117263940-A FGFR inhibitor, preparation method thereof, pharmaceutical composition and application 中国药科大学 2023-12-22 — — CN disclosed
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