SCHEMBL23276883

SCHEMBL23276883

CC[C@@H]1CN(c2ccnc(Nc3cnn(C)c3)n2)CCN1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 19/20 0.57
▸ JAK1 P23458 19/20 0.57
▸ TYK2 P29597 19/20 0.57
▸ PRKD3 O94806 1/20 0.53
▸ PRKCG P05129 1/20 0.53
▸ PRKCB P05771 1/20 0.53
▸ LCK P06239 1/20 0.53
▸ PRKCA P17252 1/20 0.53
▸ PRKCH P24723 1/20 0.53
▸ PRKCI P41743 1/20 0.53
▸ ZAP70 P43403 1/20 0.53
▸ PRKCE Q02156 1/20 0.53
▸ PRKCQ Q04759 1/20 0.53
▸ PRKCZ Q05513 1/20 0.53
▸ PRKCD Q05655 1/20 0.53
▸ PRKD1 Q15139 1/20 0.53
▸ JAK3 P52333 3/20 0.52

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
SCHEMBL23277023 1.00 JAK2 (0.57) JAK2JAK1TYK2PRKD3PRKCG
SCHEMBL23276886 1.00 JAK2 (0.57) JAK2JAK1TYK2PRKD3PRKCG
SCHEMBL23276747 0.87 JAK2 (0.58) JAK2JAK1TYK2JAK3
SCHEMBL23276919 0.87 JAK2 (0.58) JAK2JAK1TYK2JAK3
SCHEMBL23276692 0.87 JAK2 (0.58) JAK2JAK1TYK2JAK3
SCHEMBL23276888 0.81 JAK2 (0.57) JAK2JAK1TYK2JAK3
SCHEMBL23299620 0.78 TYK2 (0.59) JAK2JAK1TYK2JAK3
SCHEMBL24172505 0.76 JAK2 (0.66) JAK2JAK1TYK2JAK3
SCHEMBL24172672 0.76 JAK2 (0.66) JAK2JAK1TYK2JAK3
SCHEMBL22621338 0.76 JAK2 (0.66) JAK2JAK1TYK2JAK3

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
WO-2021078021-A1 SMALL MOLECULAR COMPOUND 嘉兴特科罗生物科技有限公司 2021-04-29 — — WO disclosed
Send feedback