SCHEMBL29697302

SCHEMBL29697302

Cc1cc(-c2cnn(C)c2)ncc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.48
PIM1 P11309 6/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
PRKDC P78527 2/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
FGFR3 P22607 1/20 0.37
KDR P35968 1/20 0.37
CCNT1 O60563 1/20 0.37
CCNE2 O96020 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 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
SCHEMBL15174381 0.81 ERN1 (0.50) ERN1PIM1MAPTCYP11B1CYP11B2
SCHEMBL22652108 0.78 ERN1 (0.52) ERN1PIM1MAPTPIM2CDK2
SCHEMBL2810982 0.76 LDHA (0.54) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL16134054 0.75 MAPT (0.58) ERN1PIM1MAPTALDH1A1PIM2
SCHEMBL21408174 0.75 TGFBR1 (0.46) ERN1PIM1MAPTPIM3PIM2
SCHEMBL545037 0.74 ACVR1B (0.47) ERN1PIM1MAPTPIM3PIM2
SCHEMBL29061506 0.74 PIM1 (0.51) PIM1MAPTCYP11B1CYP11B2IRAK4
SCHEMBL27775498 0.74 ALDH1A1 (0.42) ERN1MAPTALDH1A1CYP1A2CYP2C9
SCHEMBL14689223 0.72 CYP2A6 (0.53) PIM1MAPTCYP2C9CYP2C19CYP11B1
SCHEMBL17680436 0.72 ERN1 (0.46) ERN1MAPTALDH1A1CREBBP

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-115124554-B Pyrrolopyrimidine compound, preparation method thereof and application thereof in medicines 江苏恒瑞医药股份有限公司 2026-05-12 CN disclosed
CN-116685323-A Purinone derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-09-01 CN disclosed
CN-115124554-A Pyrrolopyrimidine compound, preparation method thereof and application thereof in medicines 江苏恒瑞医药股份有限公司 2022-09-30 CN disclosed
WO-2022135360-A1 PURINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2022-06-30 WO disclosed