SCHEMBL27905541

SCHEMBL27905541

Nc1cccc(NC2CCCCC2N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 10/20 0.44
▸ FER P16591 4/20 0.44
▸ JAK2 O60674 2/20 0.44
▸ ROCK2 O75116 2/20 0.44
▸ MAP4K4 O95819 2/20 0.44
▸ HCK P08631 2/20 0.44
▸ ROS1 P08922 2/20 0.44
▸ PIM1 P11309 2/20 0.44
▸ PRKACA P17612 2/20 0.44
▸ MARK3 P27448 2/20 0.44
▸ LTK P29376 2/20 0.44
▸ CSNK1A1 P48729 2/20 0.44
▸ CLK2 P49760 2/20 0.44
▸ MAPK10 P53779 2/20 0.44
▸ MAP2K1 Q02750 2/20 0.44
▸ MAP3K10 Q02779 2/20 0.44
▸ PRKCQ Q04759 2/20 0.44
▸ PTK2 Q05397 2/20 0.44
▸ TYRO3 Q06418 2/20 0.44
▸ STK3 Q13188 2/20 0.44

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
SCHEMBL4064616 0.82 ALDH1A1 (0.51) SYKFERJAK2ROCK2MAP4K4
SCHEMBL4065548 0.82 ALDH1A1 (0.51) SYKFERJAK2ROCK2MAP4K4
SCHEMBL4064611 0.82 ALDH1A1 (0.51) SYKFERJAK2ROCK2MAP4K4
SCHEMBL4065551 0.82 ALDH1A1 (0.51) SYKFERJAK2ROCK2MAP4K4
SCHEMBL7020150 0.82 ALDH1A1 (0.51) SYKFERJAK2ROCK2MAP4K4
SCHEMBL4064618 0.82 ALDH1A1 (0.51) SYKFERJAK2ROCK2MAP4K4
SCHEMBL11496595 0.78 ALDH1A1 (0.47) SYKFERPIM1LRRK2LMNA
SCHEMBL11499914 0.78 ALDH1A1 (0.47) SYKFERPIM1LRRK2LMNA
SCHEMBL15928723 0.78 KDM4E (0.48) ROCK2ROCK1DDB1CRBNKDM4E
SCHEMBL21799663 0.77 KDM4E (0.50) DDB1CRBNKDM4EMEN1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102020638-B 2-indolinone derivative with protein kinase inhibition activity and histone deacetylase inhibition activity and preparation method and application thereof SHENZHEN CHIPSCREEN BIOSCIENCES LTD 2013-05-08 — — CN disclosed
CN-102020607-B 6-aminoniacinamide derivatives with histone deacetylase inhibiting activity, preparation method and application thereof SHENZHEN CHIPSCREEN BIOSCIENCES LTD 2013-01-23 — — CN disclosed
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