SCHEMBL8553885

SCHEMBL8553885

NCC(CN1CCC(Oc2cc(F)cc(CN3CCC(F)(F)C3)c2)CC1)n1cc(-c2ncnc3[nH]ccc23)cn1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.49
TYRO3 Q06418 6/20 0.44
AXL P30530 6/20 0.44
MERTK Q12866 5/20 0.44
JAK1 P23458 6/20 0.42

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
SCHEMBL9898160 0.93 JAK2 (0.54) JAK2TYRO3AXLMERTKJAK1
SCHEMBL8583535 0.91 JAK2 (0.51) JAK2TYRO3AXLMERTKJAK1
SCHEMBL8583199 0.91 JAK2 (0.51) JAK2TYRO3AXLMERTKJAK1
SCHEMBL8583537 0.90 JAK2 (0.51) JAK2TYRO3AXLMERTKJAK1
SCHEMBL8554993 0.89 JAK2 (0.49) JAK2TYRO3AXLMERTKJAK1
SCHEMBL9947530 0.88 TYRO3 (0.48) JAK2TYRO3AXLMERTKJAK1
SCHEMBL8552237 0.86 JAK2 (0.46) JAK2TYRO3AXLMERTKJAK1
SCHEMBL8553681 0.86 JAK2 (0.46) JAK2TYRO3AXLMERTKJAK1
SCHEMBL8596547 0.86 TYRO3 (0.47) JAK2TYRO3AXLMERTKJAK1
SCHEMBL9947526 0.86 JAK2 (0.51) JAK2TYRO3AXLMERTKJAK1

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-2012068440-A1 HETEROCYCLIC-SUBSTITUTED PYRROLOPYRIDINES AND PYRROLOPYRIMIDINES AS JAK INHIBITORS INCYTE CORPORATION (US) 2012-05-24 WO disclosed