SCHEMBL9850362

SCHEMBL9850362

N#Cc1cccc(NCCN)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.51
ZAP70 P43403 1/20 0.51
IDO1 P14902 1/20 0.49
NOS1 P29475 1/20 0.48
CDK1 P06493 2/20 0.47
PRKCA P17252 2/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.44
KCNA5 P22460 1/20 0.44
ICMT O60725 1/20 0.43
ADRA2C P18825 1/20 0.43
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 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
SCHEMBL5712396 0.84 ALDH1A1 (0.47) SYKIDO1NOS1ALDH1A1MAPT
SCHEMBL10019236 0.82 ALDH1A1 (0.46) SYKIDO1NOS1ALDH1A1MAPT
SCHEMBL10019234 0.82 ALDH1A1 (0.50) IDO1NOS1ALDH1A1MAPTKMT2A
SCHEMBL6972024 0.82 MAPT (0.46) SYKIDO1NOS1ALDH1A1MAPT
SCHEMBL14661726 0.82 MAPT (0.40) SYKZAP70IDO1NOS1CDK1
SCHEMBL11115631 0.81 ALDH1A1 (0.59) IDO1NOS1ALDH1A1MAPTKMT2A
SCHEMBL28280216 0.80 ZAP70 (0.45) SYKZAP70CDK1PRKCAALDH1A1
SCHEMBL11114890 0.79 ALDH1A1 (0.47) IDO1NOS1ALDH1A1MAPTKMT2A
SCHEMBL14155105 0.79 TLR8 (0.47) IDO1NOS1ALDH1A1MAPTKMT2A
SCHEMBL13737973 0.79 ALDH1A1 (0.47) SYKIDO1NOS1ALDH1A1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115850192-A Process for preparing 3,4-dihydroquinazoline derivatives 南京正大天晴制药有限公司 2023-03-28 CN claimed
CN-115850192-A Process for preparing 3,4-dihydroquinazoline derivatives 南京正大天晴制药有限公司 2023-03-28 CN disclosed
WO-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
EP-0443862-A1 Triamine derivatives and their acid-addition salts SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1991-08-28 EP disclosed