SCHEMBL20193250

SCHEMBL20193250

CS(C)(C)CCOCn1cc(-c2c[nH]c3cnc(Br)cc23)cn1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.37
PIM3 Q86V86 2/20 0.37
PIM2 Q9P1W9 2/20 0.37
DYRK1A Q13627 3/20 0.33
ALK Q9UM73 10/20 0.33
TDO2 P48775 1/20 0.30
CHUK O15111 1/20 0.30

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
SCHEMBL16608639 0.87 PIM1 (0.39) PIM1PIM3PIM2DYRK1AALK
SCHEMBL19629548 0.86 PIM1 (0.43) PIM1PIM3PIM2
SCHEMBL20193261 0.82
SCHEMBL20193179 0.80 CREBBP (0.32) PIM1ALKCHUK
SCHEMBL19114543 0.80 CHUK (0.35) CHUK
SCHEMBL19114436 0.79 CHUK (0.38) PIM1PIM3PIM2DYRK1ACHUK
SCHEMBL20193242 0.79 CHUK (0.36) CHUK
SCHEMBL20193217 0.78 DYRK1A (0.40) DYRK1ACHUK
SCHEMBL20193151 0.78 CHUK (0.34) DYRK1ACHUK
SCHEMBL20193155 0.78 CHUK (0.38) DYRK1ACHUK

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-9981963-B2 3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridine derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2018-05-29 US disclosed