SCHEMBL30173308

SCHEMBL30173308

COc1ccc(-c2cnc3[nH]ccc3c2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.53
PRKCI P41743 1/20 0.53
MAPK1 P28482 1/20 0.51
DYRK1A Q13627 2/20 0.47
TTBK1 Q5TCY1 2/20 0.47
TTBK2 Q6IQ55 2/20 0.47
KIT P10721 3/20 0.44
MET P08581 1/20 0.43
CCNK O75909 1/20 0.43
CDK12 Q9NYV4 1/20 0.43
CLK1 P49759 1/20 0.42
CIT O14578 1/20 0.42
MAP3K11 Q16584 1/20 0.42
KMT2A Q03164 1/20 0.41
FGFR1 P11362 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR3 P22607 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL28596860 1.00 AXL (0.53) AXLPRKCIMAPK1DYRK1ATTBK1
SCHEMBL30173316 0.84 AXL (0.61) AXLPRKCIDYRK1ATTBK1TTBK2
SCHEMBL28609163 0.84 AXL (0.61) AXLPRKCIDYRK1ATTBK1TTBK2
SCHEMBL30173309 0.83 TTBK1 (0.51) AXLPRKCITTBK1TTBK2KIT
SCHEMBL30173307 0.83 TTBK1 (0.51) AXLPRKCITTBK1TTBK2KIT
SCHEMBL28596880 0.83 TTBK1 (0.51) AXLPRKCITTBK1TTBK2KIT
SCHEMBL30173296 0.81 KIT (0.48) AXLPRKCIDYRK1AKITMAP3K11
SCHEMBL28598985 0.81 AXL (0.53) AXLPRKCIMAPK1DYRK1ACLK1
SCHEMBL30173343 0.81 AXL (0.53) AXLPRKCIMAPK1DYRK1ACLK1
SCHEMBL3725709 0.80 JAK2 (0.58) AXLPRKCIMAPK1DYRK1ATTBK1

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
CN-113200983-B Compound with pyrrolopyridine structure, preparation method and medical application 中国药科大学 2023-01-03 CN disclosed