SCHEMBL29847614

SCHEMBL29847614

CN(C)CCOc1ccnc(-c2cccc3cnc(Nc4ccc(N5CCNCC5)nc4)nc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MYLK4 Q86YV6 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ STK17A Q9UEE5 1/20 0.44
▸ TBK1 Q9UHD2 1/20 0.44
▸ ACVR1 Q04771 2/20 0.43
▸ WEE1 P30291 1/20 0.41
▸ ZAP70 P43403 2/20 0.41
▸ EGFR P00533 2/20 0.41
▸ PRKD3 O94806 1/20 0.41
▸ PRKCG P05129 1/20 0.41
▸ PRKCB P05771 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ PRKCA P17252 1/20 0.41
▸ PRKCH P24723 1/20 0.41
▸ PRKCI P41743 1/20 0.41
▸ PRKCE Q02156 1/20 0.41
▸ PRKCQ Q04759 1/20 0.41
▸ PRKCZ Q05513 1/20 0.41
▸ PRKCD Q05655 1/20 0.41
▸ PRKD1 Q15139 1/20 0.41

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
SCHEMBL16514537 1.00 MYLK4 (0.44) MYLK4CLK4STK17ATBK1ACVR1
SCHEMBL16822852 0.91 FGFR2 (0.42) ZAP70LCKFGFR1SRCCDK4
SCHEMBL29847963 0.91 FGFR2 (0.42) ZAP70LCKFGFR1SRCCDK4
SCHEMBL29847537 0.91 CDK2 (0.47) MYLK4STK17AACVR1FGFR1CDK4
SCHEMBL16514869 0.91 CDK2 (0.47) MYLK4STK17AACVR1FGFR1CDK4
SCHEMBL16514857 0.89 ACVR1 (0.42) MYLK4CLK4STK17ATBK1ACVR1
SCHEMBL29848188 0.89 ACVR1 (0.42) MYLK4CLK4STK17ATBK1ACVR1
SCHEMBL29848054 0.89 WEE1 (0.42) MYLK4CLK4STK17ATBK1ACVR1
SCHEMBL16514951 0.89 WEE1 (0.42) MYLK4CLK4STK17ATBK1ACVR1
SCHEMBL16515263 0.89 MYLK4 (0.45) MYLK4CLK4STK17ATBK1ACVR1

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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