SCHEMBL29847963

SCHEMBL29847963

CN(C)CCOc1ccnc(-c2cccc3cnc(Nc4ccc(N5CCOCC5)nc4)nc23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR2 P21802 1/20 0.42
▸ FGFR3 P22607 1/20 0.42
▸ MTOR P42345 1/20 0.41
▸ SMG1 Q96Q15 1/20 0.41
▸ MAPK10 P53779 6/20 0.41
▸ JUN P05412 5/20 0.41
▸ MAPK8 P45983 5/20 0.41
▸ TTK P33981 2/20 0.41
▸ ZAP70 P43403 1/20 0.41
▸ BRAF P15056 4/20 0.41
▸ CDK4 P11802 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ DAPK1 P53355 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ LCK P06239 1/20 0.39
▸ LYN P07948 1/20 0.39
▸ TGFBR1 P36897 1/20 0.39
▸ BTK Q06187 1/20 0.39

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
SCHEMBL16822852 1.00 FGFR2 (0.42) FGFR2FGFR3MTORSMG1MAPK10
SCHEMBL16823087 0.91 JUN (0.48) MAPK10JUNMAPK8TTKCDK4
SCHEMBL29847920 0.91 JUN (0.48) MAPK10JUNMAPK8TTKCDK4
SCHEMBL29847614 0.91 MYLK4 (0.44) ZAP70CDK4CDK2CSF1RKCNH2
SCHEMBL16514537 0.91 MYLK4 (0.44) ZAP70CDK4CDK2CSF1RKCNH2
SCHEMBL16823103 0.89 ZAP70 (0.42) FGFR2FGFR3MTORSMG1TTK
SCHEMBL16514757 0.89 MAPK10 (0.47) FGFR2FGFR3MTORSMG1MAPK10
SCHEMBL29847827 0.89 AIMP2 (0.46) FGFR2FGFR3MTORSMG1MAPK10
SCHEMBL16515205 0.89 MAPK10 (0.42) FGFR2FGFR3MAPK10JUNMAPK8
SCHEMBL16823092 0.89 AIMP2 (0.46) FGFR2FGFR3MTORSMG1MAPK10

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-109851617-B Chemical entities, compositions, and methods 润新生物公司 2022-08-16 — — CN disclosed
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