SCHEMBL739527

SCHEMBL739527

OCCOc1ccn2c(-c3ccc4cccc(OC5CCNC[C@@H]5F)c4n3)cnc2c1

nearest known ligand 0.84

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.84
CSF1R P07333 10/20 0.84
FLT3 P36888 4/20 0.84
KIT P10721 3/20 0.84
CYP2D6 P10635 1/20 0.84
KCNH2 Q12809 1/20 0.84
PIM1 P11309 5/20 0.56
PIM2 Q9P1W9 5/20 0.56

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
SCHEMBL731839 1.00 KDR (0.84) KDRCSF1RFLT3KITCYP2D6
SCHEMBL731838 1.00 KDR (0.84) KDRCSF1RFLT3KITCYP2D6
SCHEMBL10151247 1.00 KDR (0.84) KDRCSF1RFLT3KITCYP2D6
SCHEMBL731840 1.00 KDR (0.84) KDRCSF1RFLT3KITCYP2D6
SCHEMBL729114 0.92 KDR (1.00) KDRCSF1RFLT3KITCYP2D6
SCHEMBL729265 0.92 KDR (1.00) KDRCSF1RFLT3KITCYP2D6
SCHEMBL729113 0.92 KDR (1.00) KDRCSF1RFLT3KITCYP2D6
SCHEMBL729584 0.92 KDR (1.00) KDRCSF1RFLT3KITCYP2D6
SCHEMBL729115 0.92 KDR (1.00) KDRCSF1RFLT3KITCYP2D6
SCHEMBL738436 0.92 KDR (1.00) KDRCSF1RFLT3KITCYP2D6

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-8138181-B2 Imidazo[1,2-a]pyridine compounds as receptor tyrosine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2012-03-20 US disclosed