SCHEMBL22556880

SCHEMBL22556880

Nc1cccnc1-n1ccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
CYP3A4 P08684 4/20 0.46
CYP2A6 P11509 1/20 0.46
TSHR P16473 2/20 0.45
CYP1A2 P05177 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
IDO1 P14902 2/20 0.44
MEN1 O00255 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
ELANE P08246 1/20 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
SCHEMBL8570392 0.80 KDM4E (0.45) LMNAMAPTCYP3A4CYP1A2IDO1
SCHEMBL8585682 0.78 IDO1 (0.58) LMNAMAPTCYP3A4CYP2A6TSHR
SCHEMBL20394478 0.78 CYP3A4 (0.46) LMNAMAPTCYP3A4CYP2A6TSHR
SCHEMBL15881144 0.75 CYP3A4 (0.53) MAPTCYP3A4CYP2A6TSHRCYP1A2
SCHEMBL21805951 0.74 IDO1 (0.53) LMNAMAPTCYP3A4CYP2A6TSHR
SCHEMBL10761274 0.74 CYP3A4 (0.50) MAPTCYP3A4CYP2A6TSHRCYP1A2
SCHEMBL3273101 0.74 NCOA3 (0.45) LMNAMAPTCYP3A4CYP2A6TSHR
SCHEMBL637804 0.73 IDO1 (0.61) LMNAMAPTCYP3A4CYP2A6TSHR
SCHEMBL22719451 0.73 MYC (0.54) LMNAMAPTCYP3A4CYP2A6TSHR
SCHEMBL29696523 0.71 NOS3 (0.46) LMNAMAPTCYP3A4TSHRCYP1A2

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
EP-3956322-A1 JAK1 SELECTIVE KINASE INHIBITOR DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2022-02-23 EP disclosed
WO-2020211839-A1 JAK1 SELECTIVE KINASE INHIBITOR DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2020-10-22 WO disclosed