SCHEMBL14999976

SCHEMBL14999976

Cc1nc2cnc3[nH]ccc3c2n1C1CCC(C(N)=O)CC1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 18/20 0.78
JAK2 O60674 18/20 0.78
AURKA O14965 1/20 0.72
PRKCA P17252 1/20 0.72
KDR P35968 1/20 0.72
TYK2 P29597 3/20 0.66
JAK3 P52333 3/20 0.66

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
SCHEMBL2292385 0.90 JAK1 (0.79) JAK1JAK2AURKAPRKCAKDR
SCHEMBL12385424 0.90 JAK1 (0.79) JAK1JAK2AURKAPRKCAKDR
SCHEMBL12385427 0.90 JAK2 (0.90) JAK1JAK2AURKAPRKCAKDR
SCHEMBL2226061 0.89 JAK2 (0.83) JAK1JAK2AURKAPRKCAKDR
SCHEMBL2298470 0.88 JAK1 (1.00) JAK1JAK2AURKAPRKCAKDR
SCHEMBL12385554 0.88 JAK1 (1.00) JAK1JAK2AURKAPRKCAKDR
SCHEMBL12385519 0.88 JAK1 (1.00) JAK1JAK2AURKAPRKCAKDR
SCHEMBL2223442 0.86 JAK1 (0.80) JAK1JAK2AURKAPRKCAKDR
SCHEMBL12385279 0.86 JAK1 (0.80) JAK1JAK2AURKAPRKCAKDR
SCHEMBL12425866 0.85 JAK1 (1.00) JAK1JAK2AURKAPRKCAKDR

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
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed