SCHEMBL15161237

SCHEMBL15161237

CC(C)CC(=O)N1CCN(c2ccc(NC3=NC(NC4CC4)=C(C(N)=O)CN3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 13/20 0.46
▸ JAK1 P23458 3/20 0.44
▸ JAK2 O60674 2/20 0.44
▸ JAK3 P52333 2/20 0.44
▸ RAB9A P51151 1/20 0.42
▸ RET P07949 6/20 0.41
▸ FLT3 P36888 6/20 0.41
▸ ROS1 P08922 4/20 0.41
▸ EML4 Q9HC35 3/20 0.41
▸ ALK Q9UM73 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CHEK1 O14757 2/20 0.40
▸ TYK2 P29597 2/20 0.40
▸ RPS6KA3 P51812 2/20 0.40
▸ MAPK10 P53779 2/20 0.40
▸ STK4 Q13043 2/20 0.40
▸ STK3 Q13188 2/20 0.40
▸ MARK2 Q7KZI7 2/20 0.40

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
SCHEMBL15452313 0.86 SYK (0.55) SYKJAK1JAK2JAK3
SCHEMBL15452311 0.76 SYK (0.45) SYKJAK1JAK2JAK3RET
SCHEMBL2729936 0.73 SYK (0.49) SYKALKKDM4ECYP2C9CYP2C19
SCHEMBL10243655 0.73 SYK (0.82) SYKJAK1JAK2JAK3RET
SCHEMBL15452276 0.72 SYK (0.40) SYKEML4ALK
SCHEMBL15452303 0.67 SYK (0.44) SYKALKKDM4E
SCHEMBL21955417 0.66 KMT2A (0.54) RAB9AKDM4ECYP2C9CYP2C19PTPN1
SCHEMBL2767991 0.65 ME2 (0.58) RAB9AKDM4ECYP2C9CYP2C19
SCHEMBL23544870 0.64 KDM4E (0.56) RAB9AKDM4ECYP2C9CYP2C19
SCHEMBL4383117 0.64 JAK2 (0.73) JAK1JAK2JAK3TYK2

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
US-8501944-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2013-08-06 — — US disclosed
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