SCHEMBL18896358

SCHEMBL18896358

CCC(C)C(Cn1cncn1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
ALDH1A1 P00352 2/20 0.45
CYP19A1 P11511 4/20 0.45
IDH1 O75874 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
PTGS2 P35354 2/20 0.41
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL12251287 0.86 KMT2A (0.51) KMT2AMEN1ALDH1A1CYP19A1IDH1
SCHEMBL14518240 0.86 KMT2A (0.51) KMT2AMEN1ALDH1A1CYP19A1IDH1
SCHEMBL22604271 0.82 KMT2A (0.43) KMT2AMEN1ALDH1A1CYP19A1IDH1
SCHEMBL20963179 0.80 CYP19A1 (0.49) KMT2AMEN1ALDH1A1CYP19A1IDH1
SCHEMBL12309934 0.80 KMT2A (0.54) KMT2AMEN1ALDH1A1CYP19A1IDH1
SCHEMBL11001193 0.79 CYP19A1 (0.56) KMT2AMEN1ALDH1A1CYP19A1LMNA
SCHEMBL10959984 0.77 CYP19A1 (0.56) KMT2AMEN1ALDH1A1CYP19A1IDH1
SCHEMBL10832172 0.76 KMT2A (0.32) KMT2AMEN1ALDH1A1CYP19A1
SCHEMBL12462114 0.74 CYP19A1 (0.53) KMT2AMEN1ALDH1A1CYP19A1LMNA
SCHEMBL7783933 0.73 TSHR (0.58) KMT2AMEN1ALDH1A1CYP19A1LMNA

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-9662335-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-05-30 US disclosed