SCHEMBL29048833

SCHEMBL29048833

c1cnc2cccnc2c1.c1cnc2ncncc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.41
ALDH1A1 P00352 2/20 0.40
RPS6KA5 O75582 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
PIK3CG P48736 1/20 0.35
CYP2A6 P11509 2/20 0.33
MAPK14 Q16539 1/20 0.33
BCHE P06276 2/20 0.32
ACHE P22303 2/20 0.32
POLB P06746 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MET P08581 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31

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
Quinoline SCHEMBL27968729 0.89 ALDH1A1 (0.59) EGFRALDH1A1KDM4EMAPTMETAP2
SCHEMBL7000618 0.89 EGFR (0.42) EGFRALDH1A1RPS6KA5KDM4EMAPT
Benzene SCHEMBL28734212 0.87 EGFR (0.37) EGFRALDH1A1RPS6KA5METAP2METAP1
SCHEMBL7626 0.87 EGFR (0.34) EGFRMETAP2METAP1PIK3CG
SCHEMBL29355369 0.87 EGFR (0.34) EGFRMETAP2METAP1PIK3CG
Potassium SCHEMBL29619940 0.85 EGFR (0.33) EGFRMETAP2METAP1PIK3CG
Hydrogen Sulfide SCHEMBL29184284 0.85 EGFR (0.33) EGFRMETAP2METAP1PIK3CG
Phosphine SCHEMBL3090397 0.85 CHRNB4 (0.33) EGFRMETAP2METAP1PIK3CG
SCHEMBL27705809 0.85 EGFR (0.33) EGFRMETAP2METAP1PIK3CG
Ammonia Solution, Strong SCHEMBL27506828 0.85 EGFR (0.33) EGFRMETAP2METAP1PIK3CG

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
CN-114560828-B Polymerizable compound and optically anisotropic body formed therefrom 江苏创拓新材料有限公司 2024-01-26 CN disclosed
CN-113861128-B Polymerizable compound and optically anisotropic body 江苏创拓新材料有限公司 2023-08-01 CN disclosed