SCHEMBL2935954

SCHEMBL2935954

Cc1cc(C(=O)N2CCN(C)CC2)ccc1I

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
MEN1 O00255 3/20 0.59
HPGD P15428 5/20 0.57
TSHR P16473 2/20 0.57
POLB P06746 4/20 0.55
ALDH1A1 P00352 4/20 0.53
TP53 P04637 2/20 0.53
MAPK1 P28482 1/20 0.53
ALOX15 P16050 1/20 0.53
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
GRM5 P41594 1/20 0.49
MAPT P10636 1/20 0.48

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
SCHEMBL2936202 0.88 KMT2A (0.59) KMT2AMEN1HPGDTSHRPOLB
SCHEMBL13503858 0.85 HPGD (0.67) KMT2AMEN1HPGDTSHRPOLB
SCHEMBL25498556 0.83 POLB (0.58) KMT2AMEN1HPGDTSHRPOLB
SCHEMBL12217821 0.83 KMT2A (0.60) KMT2AMEN1HPGDTSHRPOLB
SCHEMBL14345351 0.81 KMT2A (0.77) KMT2AMEN1HPGDTSHRPOLB
SCHEMBL2377982 0.81 KMT2A (0.59) KMT2AMEN1HPGDTSHRPOLB
SCHEMBL25512571 0.81 KMT2A (0.59) KMT2AMEN1HPGDTSHRPOLB
SCHEMBL849340 0.81 HPGD (0.59) KMT2AMEN1HPGDTSHRPOLB
SCHEMBL3225477 0.80 MEN1 (0.57) KMT2AMEN1HPGDTSHRPOLB
SCHEMBL10724841 0.79 POLB (0.81) KMT2AMEN1HPGDTSHRPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2229377-A1 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS Wyeth LLC (US) 2010-09-22 EP disclosed
WO-2009076602-A1 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS WYETH (US) 2009-06-18 WO disclosed