SCHEMBL11683155

SCHEMBL11683155

CC(C)n1nc(-c2ccccc2)c2cc3cc(Br)ccc3cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE1A P54750 1/20 0.45
▸ PDE1B Q01064 1/20 0.45
▸ PDE1C Q14123 1/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ CMKLR1 Q99788 1/20 0.41
▸ MERTK Q12866 1/20 0.41
▸ DCLK1 O15075 1/20 0.40
▸ PRKD3 O94806 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ CHEK2 O96017 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ FER P16591 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ MARK3 P27448 1/20 0.40
▸ FLT4 P35916 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ MAPK9 P45984 1/20 0.40
▸ CSNK1D P48730 1/20 0.40
▸ CLK2 P49760 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40

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
SCHEMBL11689307 0.88 KDM4E (0.37) PDE1APDE1BPDE1CKMT2ACMKLR1
SCHEMBL11681768 0.83 KHK (0.47) KMT2ADCLK1PRKD3MAP4K4CHEK2
SCHEMBL11687173 0.79 RET (0.44) PDE1APDE1BPDE1CKMT2ACMKLR1
SCHEMBL11683265 0.77 KDM4E (0.46) PDE1APDE1BPDE1CKMT2ACMKLR1
SCHEMBL11681765 0.76 CASR (0.49) PDE1APDE1BPDE1CCMKLR1KDM4E
SCHEMBL11686272 0.71 DCLK1 (0.71) DCLK1PRKD3MAP4K4CHEK2CSF1R
SCHEMBL11683676 0.70 DHODH (0.39) KMT2AKDM4EMAPTMEN1
SCHEMBL11688810 0.70 KHK (0.44) DCLK1PRKD3MAP4K4CHEK2CSF1R
SCHEMBL23219249 0.69 KDM4E (0.39) KMT2ACMKLR1KDM4ECASRMAPT
SCHEMBL4499277 0.69 L3MBTL1 (0.59) KMT2ADCLK1PRKD3MAP4K4CHEK2

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
US-4042704-A FERTILITY CONTROL AGENTS SANDOZ, INC. (US) 1977-08-16 — — US claimed
US-4042704-A FERTILITY CONTROL AGENTS SANDOZ, INC. (US) 1977-08-16 — — US disclosed
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