SCHEMBL30007674

SCHEMBL30007674

Cc1cc(Nc2cnccn2)nc(N[C@@H](C)c2ccc(F)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.69
JAK3 P52333 3/20 0.69
JAK1 P23458 1/20 0.69
TYK2 P29597 1/20 0.69
GPR55 Q9Y2T6 8/20 0.49
MAPKAPK2 P49137 1/20 0.44
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
MAPK14 Q16539 3/20 0.42
KRAS P01116 1/20 0.41
SOS1 Q07889 1/20 0.41
NTRK1 P04629 1/20 0.41

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
SCHEMBL12141008 1.00 JAK2 (0.69) JAK2JAK3JAK1TYK2GPR55
Hydrochloric Acid SCHEMBL14954444 0.99 JAK2 (0.68) JAK2JAK3JAK1TYK2GPR55
SCHEMBL30007953 0.91 JAK2 (0.69) JAK2JAK3JAK1TYK2GPR55
SCHEMBL12140810 0.91 JAK2 (0.69) JAK2JAK3JAK1TYK2GPR55
SCHEMBL30007242 0.89 JAK2 (0.77) JAK2JAK3JAK1TYK2GPR55
SCHEMBL1367151 0.89 JAK2 (0.68) JAK2JAK3JAK1TYK2GPR55
SCHEMBL1365499 0.89 JAK2 (0.77) JAK2JAK3JAK1TYK2GPR55
SCHEMBL14954395 0.89 JAK2 (0.68) JAK2JAK3JAK1TYK2GPR55
SCHEMBL15436272 0.88 JAK2 (0.67) JAK2JAK3JAK1TYK2GPR55
Hydrochloric Acid SCHEMBL1368811 0.88 JAK2 (0.76) JAK2JAK3JAK1TYK2GPR55

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023176972-A1 THERAPEUTIC AGENT FOR HIGH-RISK MYELOFIBROSIS 日本新薬株式会社 2023-09-21 WO claimed
WO-2023175932-A1 THERAPEUTIC AGENT FOR HIGH-RISK MYELOFIBROSIS 日本新薬株式会社 2023-09-21 WO claimed
WO-2022239068-A1 CYTOKINE STORM INHIBITOR 日本新薬株式会社 2022-11-17 WO claimed
WO-2023176972-A1 THERAPEUTIC AGENT FOR HIGH-RISK MYELOFIBROSIS 日本新薬株式会社 2023-09-21 WO disclosed
WO-2023175932-A1 THERAPEUTIC AGENT FOR HIGH-RISK MYELOFIBROSIS 日本新薬株式会社 2023-09-21 WO disclosed
WO-2022239068-A1 CYTOKINE STORM INHIBITOR 日本新薬株式会社 2022-11-17 WO disclosed