SCHEMBL19657299

SCHEMBL19657299

CNC(=O)c1c[nH]c2cnc(C)nc12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 10/20 0.43
CREBBP Q92793 1/20 0.39
JAK2 O60674 7/20 0.38
JAK1 P23458 7/20 0.38
JAK3 P52333 7/20 0.38
PKN1 Q16512 1/20 0.36
PKN2 Q16513 1/20 0.36
NR1I2 O75469 1/20 0.36
AHR P35869 1/20 0.36

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
SCHEMBL28089932 0.83 SYK (0.38) SYK
SCHEMBL10002324 0.81 PARP1 (0.42) SYKPKN1PKN2
SCHEMBL21024040 0.81 CREBBP (0.39) SYKCREBBPJAK2JAK1JAK3
SCHEMBL19657744 0.81 CREBBP (0.37) SYKCREBBPJAK2JAK1JAK3
SCHEMBL9898861 0.77 SYK (0.36) SYKCREBBPJAK2JAK1JAK3
SCHEMBL19657577 0.77 NR1I2 (0.42) SYKCREBBPPKN1PKN2NR1I2
SCHEMBL19657319 0.77 SYK (0.53) SYKJAK2JAK1JAK3
SCHEMBL29984777 0.77 SYK (0.36) SYKCREBBPJAK2JAK1JAK3
SCHEMBL19657559 0.73 SYK (0.42) SYKCREBBPNR1I2AHR
SCHEMBL27409261 0.72 PDK2 (0.43) SYKCREBBPNR1I2AHR

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
WO-2017205536-A2 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 WO disclosed