SCHEMBL7960375

SCHEMBL7960375

NN1c2c(Cc3ccccc3)nc(Cl)nc2C(Cc2ccccc2)=NC1Cl

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LTB4R Q15722 2/20 0.35
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ADCY10 Q96PN6 4/20 0.32
MPO P05164 1/20 0.31
RORC P51449 1/20 0.30

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
SCHEMBL14840998 0.69 LTB4R (0.46) KDM4EALDH1A1LMNAGLAHPGD
SCHEMBL7960340 0.69 ALDH1A1 (0.38) KDM4EALDH1A1GLAHPGDSMN1; SMN2
SCHEMBL4060963 0.62 ALDH1A1 (0.43) KDM4EALDH1A1GLAHPGDLTB4R
SCHEMBL4064971 0.61 ADORA2A (0.42) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL27907274 0.59 KDM4E (0.43) KDM4EALDH1A1LMNAGLAHPGD
SCHEMBL16399558 0.58 ALDH1A1 (0.46) KDM4EALDH1A1LMNAGLAHPGD
SCHEMBL10516437 0.58 LTB4R (0.47) ALDH1A1LTB4RCYP1A2CYP3A4CYP2D6
SCHEMBL10258111 0.58 RAB9A (0.46) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL10257456 0.58 TSHR (0.38) KDM4EALDH1A1HPGDLTB4RCYP1A2
SCHEMBL21306242 0.57 CALM1 (0.61) KDM4EALDH1A1HPGDLTB4RCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014045310-A1 PYRIMIDO[5,4-D]PYRIMIDINE OR PYRIMIDINE DERIVATIVES COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER ZOLLO MASSIMO (IT) 2014-03-27 WO claimed
WO-2014045310-A1 PYRIMIDO[5,4-D]PYRIMIDINE OR PYRIMIDINE DERIVATIVES COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER ZOLLO MASSIMO (IT) 2014-03-27 WO disclosed
US-6297250-B1 USEFUL FOR INHIBITING TRANSPORT OF NUCLEOSIDES OR PURINES ACROSS CELL MEMBRANES, THEREBY TO POTENTIATE THE ACTIVITY OF VARIOUS CYTOTOXIC ANTITUMOR DRUGS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 2001-10-02 US disclosed