SCHEMBL14307199

SCHEMBL14307199

CC1CN(C(=O)NCc2nccs2)CC[C@H]1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.40
▸ FLT3 P36888 1/20 0.39
▸ TYRO3 Q06418 1/20 0.39
▸ MERTK Q12866 1/20 0.39
▸ GAS6 Q14393 1/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ CYP2D6 P10635 2/20 0.38
▸ EPHX2 P34913 2/20 0.37
▸ PSMB5 P28074 2/20 0.37
▸ GAA P10253 1/20 0.36
▸ AADAT Q8N5Z0 1/20 0.36
▸ GPR88 Q9GZN0 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ ACKR3 P25106 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ HCRTR2 O43614 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
SCHEMBL16178782 0.82 CYP3A4 (0.38) MAPTFLT3TYRO3MERTKGAS6
SCHEMBL352093 0.76 JAK3 (0.49) —
SCHEMBL10062156 0.76 JAK3 (0.49) —
SCHEMBL22584714 0.76 ALOX15 (0.43) CYP3A4TSHRCYP2D6CYP2C19HCRTR2
SCHEMBL22584709 0.75 CYP3A4 (0.46) MAPTCYP3A4TSHRCYP2D6EPHX2
SCHEMBL12811680 0.72 ALDH1A1 (0.51) MAPTPSMB5GAAACKR3
SCHEMBL1437846 0.72 EPHX2 (0.50) EPHX2PSMB5ACKR3
SCHEMBL8155144 0.72 TSHR (0.47) MAPTCYP3A4TSHRCYP2D6CYP2C19
SCHEMBL17964652 0.70 PI4KB (0.61) —
SCHEMBL2070480 0.69 NPSR1 (0.46) MAPTTSHRCYP2C19CTSK

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-7335667-B2 Pyrrolo[2,3-b]pyridin-4-yl-amines and pyrrolo[2,3-b]pyrimidin-4-yl-amines as Janus kinase inhibitors INCYTE CORPORATION (US) 2008-02-26 — — US disclosed
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