SCHEMBL16587726

SCHEMBL16587726

CC(C)C1CCN(c2ccc(C#N)nn2)CC1F

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 16/20 0.42
RIPK1 Q13546 1/20 0.39
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
TYK2 P29597 2/20 0.39
JAK3 P52333 2/20 0.39
TACR3 P29371 1/20 0.38

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
SCHEMBL14790984 0.88 CHRNB2 (0.32) PANK3RIPK1TACR3
SCHEMBL9920484 0.87 PANK3 (0.45) PANK3RIPK1JAK2JAK1TYK2
SCHEMBL9920182 0.84 PANK3 (0.44) PANK3RIPK1JAK2JAK1TYK2
SCHEMBL16478731 0.83 PANK3 (0.46) PANK3RIPK1JAK2JAK1TYK2
SCHEMBL16478698 0.83 PANK3 (0.46) PANK3RIPK1JAK2JAK1TYK2
SCHEMBL16472337 0.83 OGA (0.38)
SCHEMBL9918308 0.83 OGA (0.38)
SCHEMBL9918330 0.83 OGA (0.38)
SCHEMBL9920467 0.79 GPR119 (0.47) PANK3JAK2JAK1TYK2JAK3
SCHEMBL9920172 0.79 GPR119 (0.47) PANK3JAK2JAK1TYK2JAK3

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-8987268-B2 Pyrrolopyridazine JAK3 inhibitors and their use for the treatment of inflammatory and autoimmune diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-24 US disclosed