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Formic Acid Methyl Ester

Formic Acid Methyl Ester

SCHEMBL28076641

COC=O.Nc1ncc(C2CCNCC2)nc1Br

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.38
▸ TYRO3 Q06418 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ CDK2 P24941 2/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CDK4 P11802 1/20 0.31
▸ CCND1 P24385 1/20 0.31
▸ ATR Q13535 1/20 0.31
▸ MAP4K3 Q8IVH8 1/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CCNA1 P78396 1/20 0.31
▸ FGFR1 P11362 1/20 0.30
▸ FGFR2 P21802 1/20 0.30
▸ FGFR3 P22607 1/20 0.30

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
SCHEMBL16679616 0.88 HRH4 (0.46) HRH4CDK2ATRMAP4K3CHEK1
SCHEMBL29940302 0.77 MAPKAPK2 (0.39) ATR
SCHEMBL16680447 0.77 MAPKAPK2 (0.39) ATR
SCHEMBL16680538 0.75 MAPK1 (0.41) ATR
SCHEMBL16680537 0.75 MAPK1 (0.41) ATR
SCHEMBL614867 0.74 ATR (0.47) HRH4TYRO3CDK2CDK1CDK4
SCHEMBL19053651 0.73 MAPKAPK2 (0.35) ATR
SCHEMBL17187742 0.73 ATR (0.47) HRH4ATR
Formic Acid Methyl Ester SCHEMBL28076437 0.72 HTR2A (0.40) CDK2CHEK1CCNA2CCNA1
SCHEMBL16679282 0.71 MAPK1 (0.47) ATR

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-105658646-A Aminoheteroaryl benzamides as kinase inhibitors 诺华股份有限公司 2016-06-08 — — CN disclosed