SCHEMBL7228017

SCHEMBL7228017

CN(CCc1ccccc1)Cc1cccc(Nc2ncc(-c3ccccc3)s2)n1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.60
CDK7 P50613 2/20 0.48
ABL1 P00519 1/20 0.48
LCK P06239 1/20 0.48
CSF1R P07333 1/20 0.48
PDGFRB P09619 1/20 0.48
MAP2K2 P36507 1/20 0.48
CHEK1 O14757 2/20 0.46
KIT P10721 1/20 0.43
FLT3 P36888 1/20 0.43

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
SCHEMBL7230509 0.94 KDR (0.56) KDRCDK7ABL1LCKCSF1R
SCHEMBL6180720 0.85 KDR (0.66) KDRCDK7ABL1LCKCSF1R
SCHEMBL7236876 0.83 KDR (0.58) KDRCDK7ABL1LCKCSF1R
SCHEMBL7237730 0.79 KDR (0.56) KDRCDK7ABL1LCKCSF1R
SCHEMBL7235020 0.78 KDR (0.54) KDRCDK7ABL1LCKCSF1R
SCHEMBL6180700 0.78 KDR (0.65) KDRCDK7ABL1LCKCSF1R
SCHEMBL7237397 0.76 KDR (1.00) KDRCDK7ABL1LCKCSF1R
SCHEMBL17539705 0.76 KDR (0.55) KDRABL1PDGFRBKITFLT3
Bromide SCHEMBL29350593 0.75 KDR (0.54) KDRABL1PDGFRBKITFLT3
SCHEMBL27584823 0.75 KDR (0.61) KDRCDK7ABL1LCKCSF1R

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-6586424-B2 Anticancer agents; anticholesterol agents MERCK & CO., INC. 2003-07-01 US disclosed
US-6586423-B2 2-(Pyridin-2-ylamino)-thiazole-5-carbonitrile derivatives; angiogenesis inhibitors; antitumor and anticarcinogenic agents; atherosclerosis, macular degeneration, diabetic retinopathy MERCK & CO., INC. 2003-07-01 US disclosed