SCHEMBL30968266

SCHEMBL30968266

N#Cc1cc(N2CCC(C(=O)N3N=CCC3c3cc(F)ccc3F)C3(CC3)C2)ncn1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 6/20 0.56
JAK2 O60674 8/20 0.36
JAK1 P23458 8/20 0.36
JAK3 P52333 8/20 0.36
TYK2 P29597 7/20 0.36
GPR119 Q8TDV5 1/20 0.36
NTRK1 P04629 5/20 0.35

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
SCHEMBL22638884 1.00 RIPK1 (0.56) RIPK1JAK2JAK1JAK3TYK2
SCHEMBL24351048 0.89 RIPK1 (0.51) RIPK1JAK2JAK1JAK3TYK2
SCHEMBL22638999 0.87 RIPK1 (0.40) RIPK1JAK2JAK1JAK3TYK2
SCHEMBL22644569 0.87 RIPK1 (0.74) RIPK1JAK2JAK1JAK3TYK2
SCHEMBL24350610 0.87 RIPK1 (0.40) RIPK1JAK2JAK1JAK3TYK2
SCHEMBL20166335 0.86 RIPK1 (0.75) RIPK1GPR119
SCHEMBL20166338 0.86 RIPK1 (0.75) RIPK1GPR119
SCHEMBL22644593 0.85 RIPK1 (0.63) RIPK1JAK2JAK1JAK3TYK2
SCHEMBL22644591 0.85 RIPK1 (0.63) RIPK1JAK2JAK1JAK3TYK2
SCHEMBL22644592 0.85 RIPK1 (0.63) RIPK1JAK2JAK1JAK3TYK2

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
CN-113767092-B Di-heterocyclic carbonyl substituted dihydropyrazoles, their preparation and their use in medicine 劲方医药科技(上海)有限公司 2024-07-16 CN disclosed