Propionitrile

Propionitrile

SCHEMBL28097849

CCC#N.PC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CCCC1

nearest known ligand 0.64

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 18/20 0.64
JAK2 O60674 18/20 0.64
JAK3 P52333 14/20 0.64
TYK2 P29597 3/20 0.61
CIT O14578 2/20 0.61
GAK O14976 2/20 0.61
ROCK2 O75116 2/20 0.61
ULK1 O75385 2/20 0.61
RET P07949 2/20 0.61
PRKCA P17252 2/20 0.61
MARK3 P27448 2/20 0.61
CLK1 P49759 2/20 0.61
MAP3K1 Q13233 2/20 0.61
ROCK1 Q13464 2/20 0.61
CAMK2G Q13555 2/20 0.61
CAMK2D Q13557 2/20 0.61
PKN1 Q16512 2/20 0.61
AAK1 Q2M2I8 2/20 0.61
Q6ZSR9 Q6ZSR9 2/20 0.61
MARK2 Q7KZI7 2/20 0.61

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
SCHEMBL100359 0.84 JAK2 (0.83) JAK1JAK2JAK3TYK2CIT
SCHEMBL99411 0.83 JAK2 (0.82) JAK1JAK2JAK3TYK2CIT
Phosphoric Acid SCHEMBL28049755 0.82 JAK2 (0.61) JAK1JAK2JAK3TYK2CIT
Propionitrile SCHEMBL27223436 0.82 JAK2 (0.61) JAK1JAK2JAK3TYK2CIT
SCHEMBL29540405 0.82 JAK1 (0.68) JAK1JAK2JAK3TYK2CIT
SCHEMBL98621 0.82 JAK1 (0.68) JAK1JAK2JAK3TYK2CIT
SCHEMBL871842 0.82 JAK2 (0.80) JAK1JAK2JAK3TYK2CIT
SCHEMBL100609 0.81 JAK2 (0.83) JAK1JAK2JAK3TYK2CIT
SCHEMBL29541207 0.81 JAK2 (0.83) JAK1JAK2JAK3TYK2CIT
SCHEMBL99286 0.80 JAK1 (0.68) JAK1JAK2JAK3TYK2CIT

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-105853356-B The topical preparation of JAK inhibitor 因塞特控股公司 2019-07-16 CN disclosed
CN-105853356-A Topical formulation for JAK inhibitor 因塞特控股公司 2016-08-17 CN disclosed