SCHEMBL5307909

SCHEMBL5307909

Nc1c(-c2c[nH]nn2)cnc2ncnn12

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
POLB P06746 1/20 0.50
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL10835557 0.62 ALDH1A1 (0.53) ALDH1A1POLBGAAKDM4ESMN1; SMN2
SCHEMBL15331243 0.62 ALDH1A1 (0.46) ALDH1A1POLBGAAKDM4ESMN1; SMN2
SCHEMBL87533 0.60
SCHEMBL18471538 0.59 NOS3 (0.44)
SCHEMBL17203401 0.59 KMT2A (0.44) ALDH1A1POLBKDM4ESMN1; SMN2
SCHEMBL6281273 0.59
SCHEMBL21241158 0.58 CYP11B2 (0.39) ALDH1A1POLBGAAKDM4ESMN1; SMN2
SCHEMBL1712320 0.58 MAP4K4 (0.42) SMN1; SMN2
SCHEMBL26598804 0.58
SCHEMBL1822947 0.58 ALDH1A1 (0.52) ALDH1A1GAAKDM4ESMN1; SMN2

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
WO-2007023018-A1 7-AMINO-6-TRIAZOLYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THE USE THEREOF FOR CONTROLLING HARMFUL FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-03-01 WO disclosed
WO-2007023018-A1 7-AMINO-6-TRIAZOLYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THE USE THEREOF FOR CONTROLLING HARMFUL FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-03-01 WO disclosed