SCHEMBL7228482

SCHEMBL7228482

CC(c1ccccc1)N(C)Cc1ccnc(Nc2ncc(-c3ccccc3)s2)c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.58
ABL1 P00519 1/20 0.52
LCK P06239 1/20 0.52
CSF1R P07333 1/20 0.52
PDGFRB P09619 1/20 0.52
MAP2K2 P36507 1/20 0.52
CDK7 P50613 1/20 0.52
CHEK1 O14757 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
SCHEMBL7234816 0.87 KDR (0.66) KDRABL1LCKCSF1RPDGFRB
SCHEMBL7227731 0.84 KDR (0.60) KDRABL1LCKCSF1RPDGFRB
SCHEMBL7228155 0.84 KDR (0.62) KDRABL1LCKCSF1RPDGFRB
SCHEMBL7237453 0.83 KDR (0.61) KDRABL1LCKCSF1RPDGFRB
SCHEMBL7236876 0.81 KDR (0.58) KDRABL1LCKCSF1RPDGFRB
SCHEMBL7245889 0.80 KDR (0.57) KDRABL1LCKCSF1RPDGFRB
SCHEMBL7235037 0.80 KDR (0.57) KDRABL1LCKCSF1RPDGFRB
SCHEMBL7228365 0.80 KDR (0.60) KDRABL1LCKCSF1RPDGFRB
SCHEMBL7237730 0.80 KDR (0.56) KDRABL1LCKCSF1RPDGFRB
SCHEMBL7227876 0.80 KDR (0.56) KDRABL1LCKCSF1RPDGFRB

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