SCHEMBL11344932

SCHEMBL11344932

Cc1ccc(-c2nnc(C)nc2-c2ccc(C)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CHEK1 O14757 1/20 0.43
ABL1 P00519 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
FLT1 P17948 1/20 0.43
GRK5 P34947 1/20 0.43
KDR P35968 1/20 0.43
MAP2K2 P36507 1/20 0.43
CDK8 P49336 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
PRKX P51817 1/20 0.43
NEK2 P51955 1/20 0.43
LIMK1 P53667 1/20 0.43
MAP2K1 Q02750 1/20 0.43
PRKCQ Q04759 1/20 0.43

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
SCHEMBL11711058 0.90 ADORA2A (0.51) ALDH1A1TDP1MEN1KMT2AKDR
SCHEMBL11707608 0.87 ALDH1A1 (0.52) ALDH1A1TDP1MEN1KMT2ASMN1; SMN2
SCHEMBL11709927 0.83 ADORA2A (0.56) ALDH1A1CHEK1ABL1PDGFRBPDGFRA
SCHEMBL12112372 0.82 CHEK1 (0.61) ALDH1A1TDP1MEN1KMT2ACHEK1
SCHEMBL13108710 0.80 ALDH1A1 (0.85) ALDH1A1TDP1MEN1KMT2ASMN1; SMN2
SCHEMBL11467203 0.79 MAPT (0.44) ALDH1A1MEN1KMT2ACHEK1ABL1
Anitrazafen SCHEMBL30901204 0.79 ALDH1A1 (0.53) ALDH1A1TDP1MEN1KMT2ASMN1; SMN2
Anitrazafen SCHEMBL43419 0.79 ALDH1A1 (0.53) ALDH1A1TDP1MEN1KMT2ASMN1; SMN2
SCHEMBL5215665 0.78 ALDH1A1 (0.55) ALDH1A1TDP1MEN1KMT2ASMN1; SMN2
SCHEMBL10817240 0.78 ALDH1A1 (0.55) ALDH1A1TDP1MEN1KMT2ASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4018923-A 5,6-Diaryl-1,2,4-triazines as topically-active anti-inflammatory agents ELI LILLY AND COMPANY (US) 1977-04-19 US claimed
US-4013654-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1977-03-22 US claimed
EP-3019874-B1 COMPOSITIONS AND METHODS OF SCREENING FOR COMPOUNDS THAT MODULATE ACTIVITY AT A TWEAK BINDING SITE ON A CRD OF FN14 TRANSLATIONAL GENOMICS RES INST (US) 2019-08-21 EP disclosed
US-4251527-A ANTIINFLAMMATORY AGENTS DIAMOND SHAMROCK CORPORATION (US) 1981-02-17 US disclosed
US-4018923-A 5,6-Diaryl-1,2,4-triazines as topically-active anti-inflammatory agents ELI LILLY AND COMPANY (US) 1977-04-19 US disclosed
US-4013654-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1977-03-22 US disclosed