SCHEMBL5750033

SCHEMBL5750033

Cc1ccnc(Nc2cnc3ccccc3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 10/20 0.55
KDR P35968 3/20 0.52
EGFR P00533 1/20 0.52
INSR P06213 1/20 0.52
MET P08581 1/20 0.52
CDK2 P24941 1/20 0.52
TEK Q02763 1/20 0.52
CYP1A2 P05177 1/20 0.51
TNF P01375 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAP4K4 O95819 1/20 0.50
ABL1 P00519 1/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
LTK P29376 1/20 0.50
MAP2K2 P36507 1/20 0.50

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
SCHEMBL1702765 0.81 GRM4 (0.53) IGF1RKDREGFRINSRMET
SCHEMBL1703113 0.81 CYP1A2 (0.57) IGF1RKDREGFRINSRMET
SCHEMBL1702057 0.80 KDR (0.57) IGF1RKDREGFRCYP1A2NPC1
SCHEMBL30033429 0.80 KDR (0.57) IGF1RKDREGFRCYP1A2NPC1
SCHEMBL5748170 0.80 MAPK10 (0.56) IGF1RKDRNPC1RAB9APOLB
SCHEMBL24799998 0.79 IGF1R (0.49) IGF1RKDREGFRINSRMET
SCHEMBL20362895 0.79 IGF1R (0.49) IGF1RKDREGFRINSRMET
SCHEMBL5771191 0.79 MAPK10 (0.51) IGF1RKDRNPC1RAB9APOLB
SCHEMBL1702273 0.79 IGF1R (0.55) IGF1RKDREGFRINSRMET
SCHEMBL28220571 0.78 TNF (0.59) IGF1RKDREGFRINSRMET

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
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed