SCHEMBL21923974

SCHEMBL21923974

Cc1ccc2ncc(Nc3ccc4ccncc4c3)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.50
IMPDH2 P12268 3/20 0.45
NOTUM Q6P988 3/20 0.43
ALDH1A1 P00352 1/20 0.40
EGFR P00533 1/20 0.39
GRM4 Q14833 3/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ROCK2 O75116 1/20 0.37
LATS1 O95835 2/20 0.37

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
SCHEMBL23443647 0.84 PRKCZ (0.47) F9IMPDH2NOTUMALDH1A1EGFR
SCHEMBL23371432 0.79 IMPDH2 (0.64) F9IMPDH2NOTUMMAPTRAB9A
SCHEMBL30824503 0.77 CYP2A6 (0.56) F9IMPDH2ALDH1A1CYP1A2
SCHEMBL761399 0.77 CYP2A6 (0.56) F9IMPDH2ALDH1A1CYP1A2
SCHEMBL21636294 0.76 PDE10A (0.43) F9ALDH1A1RAB9ACYP1A2
SCHEMBL21282175 0.72 PIK3CA (0.48) F9NOTUMGRM4MEN1KMT2A
SCHEMBL5260267 0.71 TDO2 (0.51) F9IMPDH2NOTUMGRM4POLB
SCHEMBL18311786 0.71 ALDH1A1 (0.63) F9IMPDH2NOTUMALDH1A1GRM4
SCHEMBL19650188 0.71 CYP1A2 (0.56) ALDH1A1EGFRNPC1POLBMAPT
SCHEMBL27097627 0.70 IMPDH2 (0.51) F9IMPDH2NOTUMGRM4NPC1

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
WO-2021105518-A1 ORGANIC ELECTRONIC DEVICE AND DISPLAY DEVICE COMPRISING THE ORGANIC ELECTRONIC DEVICE AS WELL AS ORGANIC COMPOUNDS FOR USE IN ORGANIC ELECTRONIC DEVICES NOVALED GMBH (DE) 2021-06-03 WO disclosed
EP-3643720-A1 ORGANIC COMPOUNDS, ORGANIC SEMICONDUCTOR LAYER AND ORGANIC ELECTRONIC DEVICE Novaled GmbH (DE) 2020-04-29 EP disclosed