SCHEMBL29936795

SCHEMBL29936795

CCN(CC)CCN(C)c1cc(OC)c(Nc2cc(Nc3ccccc3-n3cccn3)ncn2)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.50
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
CDK4 P11802 1/20 0.37
CDK2 P24941 1/20 0.37
HTT P42858 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
ALK Q9UM73 1/20 0.33

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
SCHEMBL24663094 1.00 EGFR (0.50) EGFRMEN1KMT2AALDH1A1MAPT
SCHEMBL29936610 0.86 EGFR (0.51) EGFRALDH1A1CDK4CDK2ALK
SCHEMBL24662651 0.86 EGFR (0.51) EGFRALDH1A1CDK4CDK2ALK
SCHEMBL29936744 0.82 EGFR (0.74) EGFRALK
SCHEMBL24662609 0.82 EGFR (0.74) EGFRALK
SCHEMBL24663062 0.82 ALDH1A1 (0.49) EGFRMEN1KMT2AALDH1A1MAPT
SCHEMBL30669956 0.82 ALDH1A1 (0.49) EGFRMEN1KMT2AALDH1A1MAPT
SCHEMBL24662666 0.80 CDK4 (0.37) EGFRMEN1KMT2AMAPTCDK4
SCHEMBL27004238 0.77 EGFR (0.44) EGFRALDH1A1ALK
SCHEMBL22819311 0.76 CDK4 (0.42) EGFRMEN1KMT2AALDH1A1MAPT

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
EP-4306518-A1 NOVEL PYRIMIDINE DERIVATIVE SHOWING INHIBITION EFFECT ON GROWTH OF CANCER CELLS Oncobix Co., Ltd. (KR) 2024-01-17 EP disclosed
WO-2022191664-A1 NOVEL PYRIMIDINE DERIVATIVE SHOWING INHIBITION EFFECT ON GROWTH OF CANCER CELLS 주식회사 온코빅스 2022-09-15 WO disclosed