SCHEMBL12027878

SCHEMBL12027878

Oc1ccc(Nc2ccc3cc[nH]c3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.52
AURKA O14965 1/20 0.47
TTBK1 Q5TCY1 1/20 0.46
TTBK2 Q6IQ55 1/20 0.46
DHFR P00374 2/20 0.44
RIPK1 Q13546 2/20 0.41
TNIK Q9UKE5 1/20 0.41
GAA P10253 5/20 0.40
NPSR1 Q6W5P4 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40
TYR P14679 1/20 0.39
MAOB P27338 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL12127741 0.83 APP (0.56) APPTTBK1TTBK2MEN1KMT2A
SCHEMBL416002 0.83 APP (0.52) APPTTBK1TTBK2GAAMEN1
SCHEMBL14147414 0.83 APP (0.52) APPAURKATTBK1TTBK2DHFR
SCHEMBL412949 0.83 APP (0.52) APPTTBK1TTBK2DHFRGAA
SCHEMBL721045 0.82 APP (0.55) APPAURKATTBK1TTBK2DHFR
SCHEMBL12128989 0.81 APP (0.56) APPRIPK1TYRMAPK1AXL
SCHEMBL12288172 0.81 HDAC6 (0.58) APPTTBK1TTBK2MEN1KMT2A
SCHEMBL417443 0.79 APP (0.49) APPAURKATNIKGAANPSR1
SCHEMBL411431 0.79 RAB9A (0.57) APPTTBK1TTBK2DHFRGAA
SCHEMBL12128995 0.78 APP (0.67) APPTYR

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
EP-2395004-A2 PYRROLO [2,3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2011-12-14 EP disclosed